(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol

C12H9ClF3NO — CID 25192384

IUPAC(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1ccc(Cl)cc1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H9ClF3NO/c13-9-5-3-8(4-6-9)11(18,12(14,15)16)10-2-1-7-17-10/h1-7,17-18H/t11-/m1/s1
InChIKeyWNQDDZSQAUOQDB-LLVKDONJSA-N
MW275.66 g/mol
LogP3.47
Rot. Bonds2

About (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (PubChem CID 25192384) has the molecular formula C12H9ClF3NO and a molecular weight of 275.66 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
PubChem CID25192384
Molecular FormulaC12H9ClF3NO
Molecular Weight275.66 g/mol
Exact Mass275.03
IUPAC Name(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
SMILESO[C@](c1ccc(Cl)cc1)(c1ccc[nH]1)C(F)(F)F
InChIInChI=1S/C12H9ClF3NO/c13-9-5-3-8(4-6-9)11(18,12(14,15)16)10-2-1-7-17-10/h1-7,17-18H/t11-/m1/s1
InChIKeyWNQDDZSQAUOQDB-LLVKDONJSA-N
XLogP3.47
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.66
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol with MolForge

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

Launch Full Analysis

Related Compounds

(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 95474245
3,3-difluoro-3-(1H-pyrrol-2-yl)propan-1-amine
CID 116838553
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
(2R)-2-amino-3,3,3-trifluoro-2-(1H-pyrrol-2-yl)propan-1-ol
CID 125181066
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrrole
CID 10249466
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
1,1-bis(1H-pyrrol-2-yl)propan-1-ol
CID 70449825
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
2,3-bis(4-chlorophenyl)-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 160769691
tert-butyl 2-[4-[1-chloro-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]phenyl]acetate;tert-butyl 2-[4-[1-(4-chlorophenyl)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetate
CID 158393476

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol (CID 25192384) is (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is O[C@](c1ccc(Cl)cc1)(c1ccc[nH]1)C(F)(F)F.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
The InChIKey is WNQDDZSQAUOQDB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H9ClF3NO/c13-9-5-3-8(4-6-9)11(18,12(14,15)16)10-2-1-7-17-10/h1-7,17-18H/t11-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol?
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol has a molecular weight of 275.66 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 25192384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).