5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine

C48H104F6N4 — CID 145329471

IUPAC5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
SMILESCC.CC.CC.CC.CC.CCCC1CC(F)CN(CCC)C1.CCCC1CCN(CC)CC1F.CCCN1CC(F)(F)CCC1C.CCCN1CCC(F)(F)CC1
InChIInChI=1S/C11H22FN.C10H20FN.C9H17F2N.C8H15F2N.5C2H6/c1-3-5-10-7-11(12)9-13(8-10)6-4-2;1-3-5-9-6-7-12(4-2)8-10(9)11;1-3-6-12-7-9(10,11)5-4-8(12)2;1-2-5-11-6-3-8(9,10)4-7-11;5*1-2/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;2-7H2,1H3;5*1-2H3
InChIKeyXRWNOXJKZMGBJT-UHFFFAOYSA-N
MW851.38 g/mol
LogP15.10
Rot. Bonds11

About 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine

5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine (PubChem CID 145329471) has the molecular formula C48H104F6N4 and a molecular weight of 851.38 g/mol. Its IUPAC name is 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine.

Molecular Properties

Compound Name5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
PubChem CID145329471
Molecular FormulaC48H104F6N4
Molecular Weight851.38 g/mol
Exact Mass850.82
IUPAC Name5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine
SMILESCC.CC.CC.CC.CC.CCCC1CC(F)CN(CCC)C1.CCCC1CCN(CC)CC1F.CCCN1CC(F)(F)CCC1C.CCCN1CCC(F)(F)CC1
InChIInChI=1S/C11H22FN.C10H20FN.C9H17F2N.C8H15F2N.5C2H6/c1-3-5-10-7-11(12)9-13(8-10)6-4-2;1-3-5-9-6-7-12(4-2)8-10(9)11;1-3-6-12-7-9(10,11)5-4-8(12)2;1-2-5-11-6-3-8(9,10)4-7-11;5*1-2/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;2-7H2,1H3;5*1-2H3
InChIKeyXRWNOXJKZMGBJT-UHFFFAOYSA-N
XLogP15.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.38
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine?
The IUPAC name of 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine (CID 145329471) is 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine.
What is the SMILES notation for 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine?
The canonical SMILES for 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine is CC.CC.CC.CC.CC.CCCC1CC(F)CN(CCC)C1.CCCC1CCN(CC)CC1F.CCCN1CC(F)(F)CCC1C.CCCN1CCC(F)(F)CC1.
What is the InChIKey of 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine?
The InChIKey is XRWNOXJKZMGBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN.C10H20FN.C9H17F2N.C8H15F2N.5C2H6/c1-3-5-10-7-11(12)9-13(8-10)6-4-2;1-3-5-9-6-7-12(4-2)8-10(9)11;1-3-6-12-7-9(10,11)5-4-8(12)2;1-2-5-11-6-3-8(9,10)4-7-11;5*1-2/h10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3;8H,3-7H2,1-2H3;2-7H2,1H3;5*1-2H3.
What are the key properties of 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine?
5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine has a molecular weight of 851.38 g/mol, XLogP of 15.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-methyl-1-propylpiperidine;4,4-difluoro-1-propylpiperidine;ethane;1-ethyl-3-fluoro-4-propylpiperidine;3-fluoro-1,5-dipropylpiperidine is sourced from PubChem (CID 145329471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).