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

C14H7F7O — CID 53222164

IUPAC3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2cccc(C(F)(F)F)c2F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7F7O/c15-12-10(2-1-3-11(12)14(19,20)21)7-4-8(13(16,17)18)6-9(22)5-7/h1-6,22H
InChIKeySXUWSCNTBJYSGP-UHFFFAOYSA-N
MW324.20 g/mol
LogP5.24
Rot. Bonds1

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

3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol (PubChem CID 53222164) has the molecular formula C14H7F7O and a molecular weight of 324.20 g/mol. Its IUPAC name is 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol
PubChem CID53222164
Molecular FormulaC14H7F7O
Molecular Weight324.20 g/mol
Exact Mass324.04
IUPAC Name3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol
SMILESOc1cc(-c2cccc(C(F)(F)F)c2F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H7F7O/c15-12-10(2-1-3-11(12)14(19,20)21)7-4-8(13(16,17)18)6-9(22)5-7/h1-6,22H
InChIKeySXUWSCNTBJYSGP-UHFFFAOYSA-N
XLogP5.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.20
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol
CID 53221964
3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
CID 53221990
2-chloro-5-[2-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221515
[4-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]methanol
CID 171382914
3-methyl-5-[3-[3-methyl-5-(trifluoromethyl)phenyl]-2-propan-2-ylphenyl]phenol
CID 163836406
3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole
CID 174897373
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
3-(3-chloro-2-fluorophenyl)-5-(trifluoromethyl)aniline
CID 171392137
2-[3-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]propanoic acid
CID 176514359
6-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 174897333
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol?
The IUPAC name of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol (CID 53222164) is 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol is Oc1cc(-c2cccc(C(F)(F)F)c2F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol?
The InChIKey is SXUWSCNTBJYSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7O/c15-12-10(2-1-3-11(12)14(19,20)21)7-4-8(13(16,17)18)6-9(22)5-7/h1-6,22H.
What are the key properties of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol?
3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol has a molecular weight of 324.20 g/mol, XLogP of 5.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 53222164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).