(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol

C10H10ClF3O — CID 106867561

IUPAC(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C[C@@H](O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF3O/c1-6-2-3-7(8(11)4-6)5-9(15)10(12,13)14/h2-4,9,15H,5H2,1H3/t9-/m1/s1
InChIKeyLKBZNINLDPSDNP-SECBINFHSA-N
MW238.64 g/mol
LogP3.11
Rot. Bonds2

About (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol

(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 106867561) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID106867561
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C[C@@H](O)C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF3O/c1-6-2-3-7(8(11)4-6)5-9(15)10(12,13)14/h2-4,9,15H,5H2,1H3/t9-/m1/s1
InChIKeyLKBZNINLDPSDNP-SECBINFHSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,4-dichlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62963527
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-ol
CID 106867273
1-(2-chloro-4-methylphenyl)-3-methylpentane-2,3-diol
CID 106867632
1-(2-chloro-4-methylphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 106867588
1-(2-chloro-4-methylphenyl)-3-(2,4-dichlorophenyl)propan-2-ol
CID 106867255
1-(2-chloro-4-methylphenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 106867579
1,2-bis(2-chloro-4-methylphenyl)ethanol
CID 106868189
1-(2-chloro-4-methylphenyl)-4,4,4-trifluorobutan-2-amine
CID 106867257
2-(2-chloro-4-methylphenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 106866233
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanol
CID 106868133
1-(2-chloro-4-methylphenyl)-3-(4-fluorophenyl)propan-2-ol
CID 106867250
2-(2-chloro-4-methylphenyl)-1-[5-(trifluoromethyl)-2-pyridinyl]ethanol
CID 106867992

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol (CID 106867561) is (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol is Cc1ccc(C[C@@H](O)C(F)(F)F)c(Cl)c1.
What is the InChIKey of (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is LKBZNINLDPSDNP-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-6-2-3-7(8(11)4-6)5-9(15)10(12,13)14/h2-4,9,15H,5H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 238.64 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-chloro-4-methylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106867561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).