4-(3-fluorophenyl)-2-(trifluoromethyl)phenol

C13H8F4O — CID 46314050

IUPAC4-(3-fluorophenyl)-2-(trifluoromethyl)phenol
SMILESOc1ccc(-c2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C13H8F4O/c14-10-3-1-2-8(6-10)9-4-5-12(18)11(7-9)13(15,16)17/h1-7,18H
InChIKeyOQIKTCDXNGESPI-UHFFFAOYSA-N
MW256.20 g/mol
LogP4.22
Rot. Bonds1

About 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol

4-(3-fluorophenyl)-2-(trifluoromethyl)phenol (PubChem CID 46314050) has the molecular formula C13H8F4O and a molecular weight of 256.20 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(trifluoromethyl)phenol
PubChem CID46314050
Molecular FormulaC13H8F4O
Molecular Weight256.20 g/mol
Exact Mass256.05
IUPAC Name4-(3-fluorophenyl)-2-(trifluoromethyl)phenol
SMILESOc1ccc(-c2cccc(F)c2)cc1C(F)(F)F
InChIInChI=1S/C13H8F4O/c14-10-3-1-2-8(6-10)9-4-5-12(18)11(7-9)13(15,16)17/h1-7,18H
InChIKeyOQIKTCDXNGESPI-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(chloromethyl)-4-(3-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46313337
6-[4-hydroxy-3-(trifluoromethyl)phenyl]naphthalen-2-ol
CID 122191867
2-[4-(3-fluorophenyl)-2-(trifluoromethyl)phenyl]acetonitrile
CID 46313415
[5-(3-fluorophenyl)-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 131870235
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 107290811
4-(3-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220290
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
4-(3-phenoxyphenoxy)-2-(trifluoromethyl)phenol
CID 21466174
1-(3-fluorophenyl)-4-iodo-2-(trifluoromethyl)benzene
CID 46312827
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
tris[4-(3-fluorophenyl)phenyl]-(4-phenylphenyl)silane
CID 176748689

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol?
The IUPAC name of 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol (CID 46314050) is 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol is Oc1ccc(-c2cccc(F)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol?
The InChIKey is OQIKTCDXNGESPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4O/c14-10-3-1-2-8(6-10)9-4-5-12(18)11(7-9)13(15,16)17/h1-7,18H.
What are the key properties of 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol?
4-(3-fluorophenyl)-2-(trifluoromethyl)phenol has a molecular weight of 256.20 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 46314050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).