2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol

C9H8ClF3O — CID 68633645

IUPAC2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
SMILESOCCc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3,14H,4-5H2
InChIKeyOCLVRVJHVLZGFD-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.89
Rot. Bonds2

About 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol

2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol (PubChem CID 68633645) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
PubChem CID68633645
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
SMILESOCCc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C9H8ClF3O/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3,14H,4-5H2
InChIKeyOCLVRVJHVLZGFD-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
1-[2-chloro-6-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 82678213
1-chloro-2-[dideuterio(methoxy)methyl]-3-(trifluoromethyl)benzene
CID 176829052
2-(2,6-dichlorophenyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 63411008
N-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 83307890
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
1-[[2-chloro-6-(trifluoromethyl)phenyl]methoxy]ethanethiol
CID 130205034
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
1-chloro-2-(chloromethyl)-3-[2-(trifluoromethyl)phenoxy]benzene
CID 28946947
1-chloro-5-(trifluoromethyl)naphthalene
CID 20538520
carbanide;3-chloro-2-(2-hydroxyethyl)benzenediazonium
CID 160830810

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol (CID 68633645) is 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol is OCCc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OCLVRVJHVLZGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c10-8-3-1-2-7(9(11,12)13)6(8)4-5-14/h1-3,14H,4-5H2.
What are the key properties of 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol?
2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol has a molecular weight of 224.61 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 68633645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).