2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H19F6NO — CID 141144454

IUPAC2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCC(NCC2CC2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6NO/c14-12(15,16)11(21,13(17,18)19)9-3-5-10(6-4-9)20-7-8-1-2-8/h8-10,20-21H,1-7H2
InChIKeyYVCKQGVPONUBKT-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.40
Rot. Bonds4

About 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 141144454) has the molecular formula C13H19F6NO and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID141144454
Molecular FormulaC13H19F6NO
Molecular Weight319.29 g/mol
Exact Mass319.14
IUPAC Name2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1CCC(NCC2CC2)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H19F6NO/c14-12(15,16)11(21,13(17,18)19)9-3-5-10(6-4-9)20-7-8-1-2-8/h8-10,20-21H,1-7H2
InChIKeyYVCKQGVPONUBKT-UHFFFAOYSA-N
XLogP3.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol 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

CID 86605616
CID 86605616
CID 87772867
CID 87772867
CID 150741496
CID 150741496
CID 154457891
CID 154457891
CID 83917869
CID 83917869
CID 84735667
CID 84735667
CID 153869205
CID 153869205
CID 154306041
CID 154306041
CID 154457890
CID 154457890
CID 162583087
CID 162583087
CID 117682059
CID 117682059
CID 117683879
CID 117683879

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 141144454) is 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1CCC(NCC2CC2)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is YVCKQGVPONUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F6NO/c14-12(15,16)11(21,13(17,18)19)9-3-5-10(6-4-9)20-7-8-1-2-8/h8-10,20-21H,1-7H2.
What are the key properties of 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 319.29 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 141144454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).