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

C14H8ClF5O — CID 118844964

IUPAC4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)c1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8ClF5O/c15-9-3-6-11(12(7-9)13(16)17)8-1-4-10(5-2-8)21-14(18,19)20/h1-7,13H
InChIKeyRAFJYLBHODXLIH-UHFFFAOYSA-N
MW322.66 g/mol
LogP5.84
Rot. Bonds3

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

4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 118844964) has the molecular formula C14H8ClF5O and a molecular weight of 322.66 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID118844964
Molecular FormulaC14H8ClF5O
Molecular Weight322.66 g/mol
Exact Mass322.02
IUPAC Name4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)c1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H8ClF5O/c15-9-3-6-11(12(7-9)13(16)17)8-1-4-10(5-2-8)21-14(18,19)20/h1-7,13H
InChIKeyRAFJYLBHODXLIH-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.66
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
4-chloro-2-(difluoromethyl)-1-[2-(trifluoromethoxy)phenyl]benzene
CID 118822408
5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 118813118
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
1,2,3-trichloro-5-[4-chloro-2-(difluoromethyl)phenyl]benzene
CID 118809022
1,2,5-trichloro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 119016233
1-(difluoromethyl)-2-methoxy-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622478
5-(4-chloro-2-fluorophenyl)-2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluorobenzene
CID 58738407
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
N-[(4-tert-butylphenyl)methyl]-4-chloro-2-[4-(trifluoromethoxy)phenyl]aniline
CID 59820940
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene (CID 118844964) is 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene is FC(F)c1cc(Cl)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is RAFJYLBHODXLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5O/c15-9-3-6-11(12(7-9)13(16)17)8-1-4-10(5-2-8)21-14(18,19)20/h1-7,13H.
What are the key properties of 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene?
4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 322.66 g/mol, XLogP of 5.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 118844964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).