(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol

C10H10ClF3O — CID 58689696

IUPAC(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESO[C@@H](CCl)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3O/c11-6-9(15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,9,15H,5-6H2/t9-/m1/s1
InChIKeyZFXGKQTVBSBJSU-SECBINFHSA-N
MW238.64 g/mol
LogP2.85
Rot. Bonds3

About (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol

(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 58689696) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID58689696
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol
SMILESO[C@@H](CCl)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3O/c11-6-9(15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,9,15H,5-6H2/t9-/m1/s1
InChIKeyZFXGKQTVBSBJSU-SECBINFHSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-(2-benzyl-3-chloropropyl)-3-(trifluoromethyl)benzene
CID 66033607
1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
3-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 79617375
(1S)-1-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 121456490
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
4-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 103147587
1-(5-bromo-3-pyridinyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 104800255
1-(2-fluorophenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 63084701
3-(dimethylamino)-3-ethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 79058378
1-chloro-2-[1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-yl]benzene
CID 79437571
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642

Frequently Asked Questions

What is the IUPAC name of (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol (CID 58689696) is (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol is O[C@@H](CCl)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is ZFXGKQTVBSBJSU-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClF3O/c11-6-9(15)5-7-2-1-3-8(4-7)10(12,13)14/h1-4,9,15H,5-6H2/t9-/m1/s1.
What are the key properties of (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol?
(2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 238.64 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-chloro-3-[3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 58689696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).