[5-chloro-2-(trifluoromethyl)phenyl]methanol

C8H6ClF3O — CID 2778112

IUPAC[5-chloro-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H6ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2
InChIKeyLUMJBVGPYBBQAP-UHFFFAOYSA-N
MW210.58 g/mol
LogP2.85
Rot. Bonds1

About [5-chloro-2-(trifluoromethyl)phenyl]methanol

[5-chloro-2-(trifluoromethyl)phenyl]methanol (PubChem CID 2778112) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is [5-chloro-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(trifluoromethyl)phenyl]methanol
PubChem CID2778112
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name[5-chloro-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C8H6ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2
InChIKeyLUMJBVGPYBBQAP-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.58
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
2-amino-3-[5-chloro-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 170892844
4-chloro-2-(2-methylpropyl)-1-(trifluoromethyl)benzene
CID 118359594
[4-chloro-2-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134629558
ethyl 2-[5-chloro-2-(trifluoromethyl)phenyl]acetate
CID 66765121
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 167531090
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 167531092
CID 69435849
CID 69435849
[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 86725584
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(trifluoromethyl)phenyl]methanol (CID 2778112) is [5-chloro-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(trifluoromethyl)phenyl]methanol is OCc1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of [5-chloro-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is LUMJBVGPYBBQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3,13H,4H2.
What are the key properties of [5-chloro-2-(trifluoromethyl)phenyl]methanol?
[5-chloro-2-(trifluoromethyl)phenyl]methanol has a molecular weight of 210.58 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 2778112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).