[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone

C14H8F4O2 — CID 70476597

IUPAC[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(F)cc1OC(F)(F)F
InChIInChI=1S/C14H8F4O2/c15-10-6-7-11(12(8-10)20-14(16,17)18)13(19)9-4-2-1-3-5-9/h1-8H
InChIKeyHTTDZRAQWKXVAX-UHFFFAOYSA-N
MW284.21 g/mol
LogP3.96
Rot. Bonds3

About [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone

[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone (PubChem CID 70476597) has the molecular formula C14H8F4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
PubChem CID70476597
Molecular FormulaC14H8F4O2
Molecular Weight284.21 g/mol
Exact Mass284.05
IUPAC Name[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(F)cc1OC(F)(F)F
InChIInChI=1S/C14H8F4O2/c15-10-6-7-11(12(8-10)20-14(16,17)18)13(19)9-4-2-1-3-5-9/h1-8H
InChIKeyHTTDZRAQWKXVAX-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-bromo-1,1,2,2-tetrafluoroethoxy)-4-fluorophenyl]-phenylmethanone
CID 88695083
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
(2-benzoyl-4-fluorophenyl)-(4-fluorophenyl)methanone
CID 139633468
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628405
(4-fluoro-3-methoxyphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 146008152
(4-fluoro-2-methylsulfanylphenyl)-phenylmethanone
CID 70476980
2-benzoyl-4-fluoro-1-fluorosulfonyloxybenzene
CID 154879996
[2-amino-5-(trifluoromethoxy)phenyl]-phenylmethanone
CID 767339
[2-methoxy-4-(trifluoromethyl)phenyl]-phenylmethanone
CID 82631409
[2-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-phenylmethanone
CID 19821213
[4-benzoyl-3-(2,2,2-trifluoroacetyl)oxyphenyl] 2,2,2-trifluoroacetate
CID 91703647
1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethanone
CID 131527772

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone?
The IUPAC name of [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone (CID 70476597) is [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone?
The canonical SMILES for [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(F)cc1OC(F)(F)F.
What is the InChIKey of [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone?
The InChIKey is HTTDZRAQWKXVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O2/c15-10-6-7-11(12(8-10)20-14(16,17)18)13(19)9-4-2-1-3-5-9/h1-8H.
What are the key properties of [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone?
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone has a molecular weight of 284.21 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 70476597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).