1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

C116H188F2N18O5 — CID 162077463

IUPAC1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
SMILESCC(C)C1CC1.CC(C)C1CC1(F)F.CC(C)C1CCCO1.CC(C)C1CCO1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncncn1.CC[C@@H](O)C(C)C.CC[C@H](O)C(C)C
InChIInChI=1S/3C8H11N.6C7H10N2.C7H14O.C7H10O.C6H10F2.C6H9N3.C6H12O.2C6H14O.C6H12/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-3-6(5,7)8;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-4-7-6;2*1-4-6(7)5(2)3;1-5(2)6-3-4-6/h3*3-7H,1-2H3;6*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;2*5-7H,4H2,1-3H3;5-6H,3-4H2,1-2H3/t;;;;;;;;;;;;;;2*6-;/m..............10./s1
InChIKeyZBWWNCQJOCEPHH-MRSFBOMQSA-N
MW1952.90 g/mol
LogP30.04
Rot. Bonds19

About 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine

1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine (PubChem CID 162077463) has the molecular formula C116H188F2N18O5 and a molecular weight of 1952.90 g/mol. Its IUPAC name is 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine.

Molecular Properties

Compound Name1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
PubChem CID162077463
Molecular FormulaC116H188F2N18O5
Molecular Weight1952.90 g/mol
Exact Mass1951.50
IUPAC Name1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine
SMILESCC(C)C1CC1.CC(C)C1CC1(F)F.CC(C)C1CCCO1.CC(C)C1CCO1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncncn1.CC[C@@H](O)C(C)C.CC[C@H](O)C(C)C
InChIInChI=1S/3C8H11N.6C7H10N2.C7H14O.C7H10O.C6H10F2.C6H9N3.C6H12O.2C6H14O.C6H12/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-3-6(5,7)8;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-4-7-6;2*1-4-6(7)5(2)3;1-5(2)6-3-4-6/h3*3-7H,1-2H3;6*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;2*5-7H,4H2,1-3H3;5-6H,3-4H2,1-2H3/t;;;;;;;;;;;;;;2*6-;/m..............10./s1
InChIKeyZBWWNCQJOCEPHH-MRSFBOMQSA-N
XLogP30.04
TPSA304.08 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms141
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001952.90
LogP ≤ 530.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Analyze 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?
The IUPAC name of 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine (CID 162077463) is 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine.
What is the SMILES notation for 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?
The canonical SMILES for 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine is CC(C)C1CC1.CC(C)C1CC1(F)F.CC(C)C1CCCO1.CC(C)C1CCO1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1ccnnc1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncncn1.CC[C@@H](O)C(C)C.CC[C@H](O)C(C)C.
What is the InChIKey of 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?
The InChIKey is ZBWWNCQJOCEPHH-MRSFBOMQSA-N. The full InChI is InChI=1S/3C8H11N.6C7H10N2.C7H14O.C7H10O.C6H10F2.C6H9N3.C6H12O.2C6H14O.C6H12/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-3-4-8-9-5-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;2*1-6(2)7-4-3-5-8-7;1-4(2)5-3-6(5,7)8;1-5(2)6-8-3-7-4-9-6;1-5(2)6-3-4-7-6;2*1-4-6(7)5(2)3;1-5(2)6-3-4-6/h3*3-7H,1-2H3;6*3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;4-5H,3H2,1-2H3;3-5H,1-2H3;5-6H,3-4H2,1-2H3;2*5-7H,4H2,1-3H3;5-6H,3-4H2,1-2H3/t;;;;;;;;;;;;;;2*6-;/m..............10./s1.
What are the key properties of 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine?
1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine has a molecular weight of 1952.90 g/mol, XLogP of 30.04, 19 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-propan-2-ylcyclopropane;(3S)-2-methylpentan-3-ol;(3R)-2-methylpentan-3-ol;propan-2-ylcyclopropane;2-propan-2-ylfuran;2-propan-2-yloxetane;2-propan-2-yloxolane;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,5-triazine is sourced from PubChem (CID 162077463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).