1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol

C10H10ClF3O — CID 134225298

IUPAC1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol
SMILESCc1cc(C(O)C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C10H10ClF3O/c1-5-3-7(4-8(11)6(5)2)9(15)10(12,13)14/h3-4,9,15H,1-2H3
InChIKeyJWFSLMVKXZCNIG-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.55
Rot. Bonds1

About 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol

1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol (PubChem CID 134225298) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol
PubChem CID134225298
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol
SMILESCc1cc(C(O)C(F)(F)F)cc(Cl)c1C
InChIInChI=1S/C10H10ClF3O/c1-5-3-7(4-8(11)6(5)2)9(15)10(12,13)14/h3-4,9,15H,1-2H3
InChIKeyJWFSLMVKXZCNIG-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-bromo-4,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 135348437
1-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanol
CID 89152672
4-[(E)-3-(3-chloro-4,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]phenol
CID 144652979
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953043
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
3-chloro-4,5-dimethylphenol
CID 5324739
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
CID 124636890
2,2,2-trifluoro-1-(3-methyl-4-nitrophenyl)ethanol
CID 130274799
2-chloro-1-(3,5-dimethylphenyl)-2,2-difluoroethanol
CID 112575182
(1R)-1-(2-chloro-4-pyridinyl)-2,2,2-trifluoroethanol
CID 89034053
1-chloro-2,3,5-trimethylbenzene;ethane
CID 142028955
2,2,3,3,3-pentafluoro-1-(2,3,5,6-tetramethylphenyl)propan-1-ol
CID 61088665

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol (CID 134225298) is 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol is Cc1cc(C(O)C(F)(F)F)cc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol?
The InChIKey is JWFSLMVKXZCNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-5-3-7(4-8(11)6(5)2)9(15)10(12,13)14/h3-4,9,15H,1-2H3.
What are the key properties of 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol?
1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol has a molecular weight of 238.64 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-dimethylphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 134225298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).