(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol

C14H17F2NO — CID 146808072

IUPAC(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol
SMILESC[C@@H](/N=C1\CCCC(F)(F)[C@@H]1O)c1ccccc1
InChIInChI=1S/C14H17F2NO/c1-10(11-6-3-2-4-7-11)17-12-8-5-9-14(15,16)13(12)18/h2-4,6-7,10,13,18H,5,8-9H2,1H3/b17-12+/t10-,13-/m1/s1
InChIKeyRZMWAUZTTBJOOX-PKWAPQHBSA-N
MW253.29 g/mol
LogP3.37
Rot. Bonds2

About (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol

(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol (PubChem CID 146808072) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol
PubChem CID146808072
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol
SMILESC[C@@H](/N=C1\CCCC(F)(F)[C@@H]1O)c1ccccc1
InChIInChI=1S/C14H17F2NO/c1-10(11-6-3-2-4-7-11)17-12-8-5-9-14(15,16)13(12)18/h2-4,6-7,10,13,18H,5,8-9H2,1H3/b17-12+/t10-,13-/m1/s1
InChIKeyRZMWAUZTTBJOOX-PKWAPQHBSA-N
XLogP3.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-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 (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol?
The IUPAC name of (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol (CID 146808072) is (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol.
What is the SMILES notation for (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol?
The canonical SMILES for (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol is C[C@@H](/N=C1\CCCC(F)(F)[C@@H]1O)c1ccccc1.
What is the InChIKey of (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol?
The InChIKey is RZMWAUZTTBJOOX-PKWAPQHBSA-N. The full InChI is InChI=1S/C14H17F2NO/c1-10(11-6-3-2-4-7-11)17-12-8-5-9-14(15,16)13(12)18/h2-4,6-7,10,13,18H,5,8-9H2,1H3/b17-12+/t10-,13-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol?
(1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol has a molecular weight of 253.29 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-6-[(1R)-1-phenylethyl]iminocyclohexan-1-ol is sourced from PubChem (CID 146808072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).