2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol

C14H10F4O2 — CID 53219739

IUPAC2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccc(F)c(O)c1
InChIInChI=1S/C14H10F4O2/c1-20-13-5-3-9(14(16,17)18)7-10(13)8-2-4-11(15)12(19)6-8/h2-7,19H,1H3
InChIKeyKTLPWCDDQQBJKW-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.23
Rot. Bonds2

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

2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol (PubChem CID 53219739) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol.

Molecular Properties

Compound Name2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
PubChem CID53219739
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccc(F)c(O)c1
InChIInChI=1S/C14H10F4O2/c1-20-13-5-3-9(14(16,17)18)7-10(13)8-2-4-11(15)12(19)6-8/h2-7,19H,1H3
InChIKeyKTLPWCDDQQBJKW-UHFFFAOYSA-N
XLogP4.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol?
The IUPAC name of 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol (CID 53219739) is 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol.
What is the SMILES notation for 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol?
The canonical SMILES for 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol is COc1ccc(C(F)(F)F)cc1-c1ccc(F)c(O)c1.
What is the InChIKey of 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol?
The InChIKey is KTLPWCDDQQBJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c1-20-13-5-3-9(14(16,17)18)7-10(13)8-2-4-11(15)12(19)6-8/h2-7,19H,1H3.
What are the key properties of 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol?
2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol has a molecular weight of 286.22 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-methoxy-5-(trifluoromethyl)phenyl]phenol is sourced from PubChem (CID 53219739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).