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

C14H8ClF5 — CID 118999324

IUPAC1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8ClF5/c15-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(6-8)14(18,19)20/h1-7,13H
InChIKeyCBBRRYVGCJCZRE-UHFFFAOYSA-N
MW306.66 g/mol
LogP5.96
Rot. Bonds2

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

1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 118999324) has the molecular formula C14H8ClF5 and a molecular weight of 306.66 g/mol. Its IUPAC name is 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID118999324
Molecular FormulaC14H8ClF5
Molecular Weight306.66 g/mol
Exact Mass306.02
IUPAC Name1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C14H8ClF5/c15-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(6-8)14(18,19)20/h1-7,13H
InChIKeyCBBRRYVGCJCZRE-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.66
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
1-(difluoromethyl)-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 134622895
1,2,4-trichloro-3-[3-(trifluoromethyl)phenyl]benzene
CID 119011151
3-[2-chloro-5-(trifluoromethyl)phenyl]-N,N-dimethylaniline
CID 162537631
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
1-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 46311910

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (CID 118999324) is 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is FC(F)c1ccc(Cl)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is CBBRRYVGCJCZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5/c15-12-5-4-9(13(16)17)7-11(12)8-2-1-3-10(6-8)14(18,19)20/h1-7,13H.
What are the key properties of 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 306.66 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 118999324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).