1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene

C14H7F7 — CID 119018049

IUPAC1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F
InChIInChI=1S/C14H7F7/c15-11-3-1-2-10(12(11)14(19,20)21)8-4-6-9(7-5-8)13(16,17)18/h1-7H
InChIKeyXGAWKRNJKMHXMA-UHFFFAOYSA-N
MW308.20 g/mol
LogP5.53
Rot. Bonds1

About 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene

1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 119018049) has the molecular formula C14H7F7 and a molecular weight of 308.20 g/mol. Its IUPAC name is 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
PubChem CID119018049
Molecular FormulaC14H7F7
Molecular Weight308.20 g/mol
Exact Mass308.04
IUPAC Name1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene
SMILESFc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F
InChIInChI=1S/C14H7F7/c15-11-3-1-2-10(12(11)14(19,20)21)8-4-6-9(7-5-8)13(16,17)18/h1-7H
InChIKeyXGAWKRNJKMHXMA-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.20
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzene
CID 134617566
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
2-fluoro-3-[4-(trifluoromethyl)phenyl]aniline
CID 134624111
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
[2-bromo-6-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 151698455
2,4-dichloro-1-[3-fluoro-2-(trifluoromethyl)phenyl]benzene
CID 119002759
2-[2-amino-3-[4-(trifluoromethyl)phenyl]phenoxy]-6-[4-(trifluoromethyl)phenyl]aniline
CID 57275612
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910
ethane;1-methyl-2-[4-(trifluoromethyl)phenyl]benzene;1,2,3-trifluoro-5-phenylbenzene
CID 158082344
1-fluoro-3-propan-2-yl-2-[4-(trifluoromethyl)phenyl]benzene
CID 54565762

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene (CID 119018049) is 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene is Fc1cccc(-c2ccc(C(F)(F)F)cc2)c1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is XGAWKRNJKMHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F7/c15-11-3-1-2-10(12(11)14(19,20)21)8-4-6-9(7-5-8)13(16,17)18/h1-7H.
What are the key properties of 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene?
1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 308.20 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119018049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).