2-chloro-3-(trifluoromethyl)phenol

C7H4ClF3O — CID 2736601

IUPAC2-chloro-3-(trifluoromethyl)phenol
SMILESOc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H4ClF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChIKeyBGXZMBZFGAIBDH-UHFFFAOYSA-N
MW196.56 g/mol
LogP3.06
Rot. Bonds

About 2-chloro-3-(trifluoromethyl)phenol

2-chloro-3-(trifluoromethyl)phenol (PubChem CID 2736601) has the molecular formula C7H4ClF3O and a molecular weight of 196.56 g/mol. Its IUPAC name is 2-chloro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-3-(trifluoromethyl)phenol
PubChem CID2736601
Molecular FormulaC7H4ClF3O
Molecular Weight196.56 g/mol
Exact Mass195.99
IUPAC Name2-chloro-3-(trifluoromethyl)phenol
SMILESOc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C7H4ClF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
InChIKeyBGXZMBZFGAIBDH-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.56
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-3-(trifluoromethyl)phenol (CID 2736601) is 2-chloro-3-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-3-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-3-(trifluoromethyl)phenol is Oc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-chloro-3-(trifluoromethyl)phenol?
The InChIKey is BGXZMBZFGAIBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H.
What are the key properties of 2-chloro-3-(trifluoromethyl)phenol?
2-chloro-3-(trifluoromethyl)phenol has a molecular weight of 196.56 g/mol, XLogP of 3.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 2736601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).