2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol

C13H7ClF4O — CID 53221515

IUPAC2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(-c2cccc(C(F)(F)F)c2F)ccc1Cl
InChIInChI=1S/C13H7ClF4O/c14-10-5-4-7(6-11(10)19)8-2-1-3-9(12(8)15)13(16,17)18/h1-6,19H
InChIKeyBDCQRXNGXCUPNQ-UHFFFAOYSA-N
MW290.64 g/mol
LogP4.87
Rot. Bonds1

About 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol

2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol (PubChem CID 53221515) has the molecular formula C13H7ClF4O and a molecular weight of 290.64 g/mol. Its IUPAC name is 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol
PubChem CID53221515
Molecular FormulaC13H7ClF4O
Molecular Weight290.64 g/mol
Exact Mass290.01
IUPAC Name2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol
SMILESOc1cc(-c2cccc(C(F)(F)F)c2F)ccc1Cl
InChIInChI=1S/C13H7ClF4O/c14-10-5-4-7(6-11(10)19)8-2-1-3-9(12(8)15)13(16,17)18/h1-6,19H
InChIKeyBDCQRXNGXCUPNQ-UHFFFAOYSA-N
XLogP4.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.64
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol (CID 53221515) is 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol is Oc1cc(-c2cccc(C(F)(F)F)c2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol?
The InChIKey is BDCQRXNGXCUPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4O/c14-10-5-4-7(6-11(10)19)8-2-1-3-9(12(8)15)13(16,17)18/h1-6,19H.
What are the key properties of 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol?
2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol has a molecular weight of 290.64 g/mol, XLogP of 4.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 53221515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).