(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

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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-2-ol
CID 43388784
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-2-methylpropanoic acid
CID 62676790
(2S)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 52756844
2-[(5-chloro-2-pyridinyl)amino]-1-(2-fluorophenyl)ethanol
CID 133351470
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-methylbutanoic acid
CID 65226413
3-chloro-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 28522071
(1R)-2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-1-(2-fluorophenyl)ethanol
CID 34197943
(1S)-1-[4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]ethanol
CID 97020715
N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropylethane-1,2-diamine
CID 63760239
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-phenylpropanamide
CID 4188467
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2,6-difluorobenzenesulfonamide
CID 35405703

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).