(3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol

C14H27F2NO — CID 139888214

IUPAC(3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
SMILESCC(CN)CC(F)(F)[C@H](O)CCC1CCCCC1
InChIInChI=1S/C14H27F2NO/c1-11(10-17)9-14(15,16)13(18)8-7-12-5-3-2-4-6-12/h11-13,18H,2-10,17H2,1H3/t11?,13-/m1/s1
InChIKeyLMDJYECEKUIWFD-GLGOKHISSA-N
MW263.37 g/mol
LogP3.33
Rot. Bonds7

About (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol

(3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol (PubChem CID 139888214) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol.

Molecular Properties

Compound Name(3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
PubChem CID139888214
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name(3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
SMILESCC(CN)CC(F)(F)[C@H](O)CCC1CCCCC1
InChIInChI=1S/C14H27F2NO/c1-11(10-17)9-14(15,16)13(18)8-7-12-5-3-2-4-6-12/h11-13,18H,2-10,17H2,1H3/t11?,13-/m1/s1
InChIKeyLMDJYECEKUIWFD-GLGOKHISSA-N
XLogP3.33
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The IUPAC name of (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol (CID 139888214) is (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol.
What is the SMILES notation for (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The canonical SMILES for (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol is CC(CN)CC(F)(F)[C@H](O)CCC1CCCCC1.
What is the InChIKey of (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The InChIKey is LMDJYECEKUIWFD-GLGOKHISSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-11(10-17)9-14(15,16)13(18)8-7-12-5-3-2-4-6-12/h11-13,18H,2-10,17H2,1H3/t11?,13-/m1/s1.
What are the key properties of (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
(3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol has a molecular weight of 263.37 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-amino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol is sourced from PubChem (CID 139888214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).