(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone

C14H7F5O2 — CID 116628405

IUPAC(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H7F5O2/c15-9-3-6-11(12(16)7-9)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7H
InChIKeyIVPTZGCEAJNXIA-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.09
Rot. Bonds3

About (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone

(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 116628405) has the molecular formula C14H7F5O2 and a molecular weight of 302.20 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID116628405
Molecular FormulaC14H7F5O2
Molecular Weight302.20 g/mol
Exact Mass302.04
IUPAC Name(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F
InChIInChI=1S/C14H7F5O2/c15-9-3-6-11(12(16)7-9)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7H
InChIKeyIVPTZGCEAJNXIA-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005353
(2,4-difluorophenyl)-(4-phenoxyphenyl)methanone
CID 146007872
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(4-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 3021169
[4-fluoro-2-(trifluoromethoxy)phenyl]-phenylmethanone
CID 70476597
(4-amino-2-chlorophenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116629442
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535749
(3,4-dimethylphenyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 116628415
pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 68682751
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 22079253

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 116628405) is (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is IVPTZGCEAJNXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F5O2/c15-9-3-6-11(12(16)7-9)13(20)8-1-4-10(5-2-8)21-14(17,18)19/h1-7H.
What are the key properties of (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone?
(2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 302.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 116628405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).