(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol

C14H11ClF4N2O — CID 52579767

IUPAC(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol
SMILESO[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H11ClF4N2O/c15-10-5-8(14(17,18)19)6-20-13(10)21-7-12(22)9-3-1-2-4-11(9)16/h1-6,12,22H,7H2,(H,20,21)/t12-/m0/s1
InChIKeyXJWXDYZPIJITHZ-LBPRGKRZSA-N
MW334.70 g/mol
LogP4.04
Rot. Bonds4

About (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol

(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol (PubChem CID 52579767) has the molecular formula C14H11ClF4N2O and a molecular weight of 334.70 g/mol. Its IUPAC name is (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol
PubChem CID52579767
Molecular FormulaC14H11ClF4N2O
Molecular Weight334.70 g/mol
Exact Mass334.05
IUPAC Name(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol
SMILESO[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F
InChIInChI=1S/C14H11ClF4N2O/c15-10-5-8(14(17,18)19)6-20-13(10)21-7-12(22)9-3-1-2-4-11(9)16/h1-6,12,22H,7H2,(H,20,21)/t12-/m0/s1
InChIKeyXJWXDYZPIJITHZ-LBPRGKRZSA-N
XLogP4.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.70
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol 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-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol?
The IUPAC name of (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol (CID 52579767) is (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol.
What is the SMILES notation for (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol?
The canonical SMILES for (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol is O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)c1ccccc1F.
What is the InChIKey of (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol?
The InChIKey is XJWXDYZPIJITHZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H11ClF4N2O/c15-10-5-8(14(17,18)19)6-20-13(10)21-7-12(22)9-3-1-2-4-11(9)16/h1-6,12,22H,7H2,(H,20,21)/t12-/m0/s1.
What are the key properties of (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol?
(1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol has a molecular weight of 334.70 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2-fluorophenyl)ethanol is sourced from PubChem (CID 52579767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).