1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol

C9H8ClF3O — CID 44890727

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3
InChIKeyRMFUMJOARZCIFY-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.41
Rot. Bonds1

About 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol

1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 44890727) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol
PubChem CID44890727
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3
InChIKeyRMFUMJOARZCIFY-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trifluoromethyl)benzenemethanol
CID 96881
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
4-Chloro-alpha-cyclopropylbenzenemethanol
CID 86679
2,4-Dichloro-alpha-methylbenzenemethanol
CID 92889
1-(4-Chlorophenyl)ethane-1,2-diol
CID 101107
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol (CID 44890727) is 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol is CC(O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RMFUMJOARZCIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5,14H,1H3.
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol?
1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 224.61 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 44890727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).