3-chloro-2-fluoro-5-(trifluoromethyl)phenol

C7H3ClF4O — CID 2773771

IUPAC3-chloro-2-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H
InChIKeyOKLHLYVTNGBKCI-UHFFFAOYSA-N
MW214.55 g/mol
LogP3.20
Rot. Bonds

About 3-chloro-2-fluoro-5-(trifluoromethyl)phenol

3-chloro-2-fluoro-5-(trifluoromethyl)phenol (PubChem CID 2773771) has the molecular formula C7H3ClF4O and a molecular weight of 214.55 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-(trifluoromethyl)phenol
PubChem CID2773771
Molecular FormulaC7H3ClF4O
Molecular Weight214.55 g/mol
Exact Mass213.98
IUPAC Name3-chloro-2-fluoro-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H
InChIKeyOKLHLYVTNGBKCI-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.55
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-(trifluoromethyl)phenol?
The IUPAC name of 3-chloro-2-fluoro-5-(trifluoromethyl)phenol (CID 2773771) is 3-chloro-2-fluoro-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-chloro-2-fluoro-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-chloro-2-fluoro-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)cc(Cl)c1F.
What is the InChIKey of 3-chloro-2-fluoro-5-(trifluoromethyl)phenol?
The InChIKey is OKLHLYVTNGBKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4O/c8-4-1-3(7(10,11)12)2-5(13)6(4)9/h1-2,13H.
What are the key properties of 3-chloro-2-fluoro-5-(trifluoromethyl)phenol?
3-chloro-2-fluoro-5-(trifluoromethyl)phenol has a molecular weight of 214.55 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-(trifluoromethyl)phenol is sourced from PubChem (CID 2773771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).