(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol

C17H14ClF3N2O — CID 76902730

IUPAC(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol
SMILESO[C@@H]1CNCC(F)(F)[C@H]1n1c2ccc(F)cc2c2cc(Cl)ccc21
InChIInChI=1S/C17H14ClF3N2O/c18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)23(13)16-15(24)7-22-8-17(16,20)21/h1-6,15-16,22,24H,7-8H2/t15-,16+/m1/s1
InChIKeyVYMVSRQUJNRLPF-CVEARBPZSA-N
MW354.76 g/mol
LogP3.73
Rot. Bonds1

About (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol

(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol (PubChem CID 76902730) has the molecular formula C17H14ClF3N2O and a molecular weight of 354.76 g/mol. Its IUPAC name is (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol
PubChem CID76902730
Molecular FormulaC17H14ClF3N2O
Molecular Weight354.76 g/mol
Exact Mass354.07
IUPAC Name(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol
SMILESO[C@@H]1CNCC(F)(F)[C@H]1n1c2ccc(F)cc2c2cc(Cl)ccc21
InChIInChI=1S/C17H14ClF3N2O/c18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)23(13)16-15(24)7-22-8-17(16,20)21/h1-6,15-16,22,24H,7-8H2/t15-,16+/m1/s1
InChIKeyVYMVSRQUJNRLPF-CVEARBPZSA-N
XLogP3.73
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-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,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol?
The IUPAC name of (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol (CID 76902730) is (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol.
What is the SMILES notation for (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol?
The canonical SMILES for (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol is O[C@@H]1CNCC(F)(F)[C@H]1n1c2ccc(F)cc2c2cc(Cl)ccc21.
What is the InChIKey of (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol?
The InChIKey is VYMVSRQUJNRLPF-CVEARBPZSA-N. The full InChI is InChI=1S/C17H14ClF3N2O/c18-9-1-3-13-11(5-9)12-6-10(19)2-4-14(12)23(13)16-15(24)7-22-8-17(16,20)21/h1-6,15-16,22,24H,7-8H2/t15-,16+/m1/s1.
What are the key properties of (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol?
(3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol has a molecular weight of 354.76 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-chloro-6-fluorocarbazol-9-yl)-5,5-difluoropiperidin-3-ol is sourced from PubChem (CID 76902730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).