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

C8H6ClF3O — CID 5193821

IUPAC[4-chloro-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
InChIKeyOYVUJDHCOIJRDO-UHFFFAOYSA-N
MW210.58 g/mol
LogP2.85
Rot. Bonds1

About [4-chloro-2-(trifluoromethyl)phenyl]methanol

[4-chloro-2-(trifluoromethyl)phenyl]methanol (PubChem CID 5193821) has the molecular formula C8H6ClF3O and a molecular weight of 210.58 g/mol. Its IUPAC name is [4-chloro-2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-chloro-2-(trifluoromethyl)phenyl]methanol
PubChem CID5193821
Molecular FormulaC8H6ClF3O
Molecular Weight210.58 g/mol
Exact Mass210.01
IUPAC Name[4-chloro-2-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C8H6ClF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2
InChIKeyOYVUJDHCOIJRDO-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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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-chloro-2-(trifluoromethyl)phenyl]methanol (CID 5193821) is [4-chloro-2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-chloro-2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-chloro-2-(trifluoromethyl)phenyl]methanol is OCc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of [4-chloro-2-(trifluoromethyl)phenyl]methanol?
The InChIKey is OYVUJDHCOIJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O/c9-6-2-1-5(4-13)7(3-6)8(10,11)12/h1-3,13H,4H2.
What are the key properties of [4-chloro-2-(trifluoromethyl)phenyl]methanol?
[4-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 [4-chloro-2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 5193821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).