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

C14H8ClF5O — CID 134619600

IUPAC2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)c1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H8ClF5O/c15-12-10(5-2-6-11(12)13(16)17)8-3-1-4-9(7-8)21-14(18,19)20/h1-7,13H
InChIKeyPOCCLOCZSCGARO-UHFFFAOYSA-N
MW322.66 g/mol
LogP5.84
Rot. Bonds3

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

2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene (PubChem CID 134619600) has the molecular formula C14H8ClF5O and a molecular weight of 322.66 g/mol. Its IUPAC name is 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
PubChem CID134619600
Molecular FormulaC14H8ClF5O
Molecular Weight322.66 g/mol
Exact Mass322.02
IUPAC Name2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene
SMILESFC(F)c1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl
InChIInChI=1S/C14H8ClF5O/c15-12-10(5-2-6-11(12)13(16)17)8-3-1-4-9(7-8)21-14(18,19)20/h1-7,13H
InChIKeyPOCCLOCZSCGARO-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-chloro-3-[3-(trifluoromethoxy)phenyl]benzoyl chloride
CID 134619623
1,2,4-trichloro-5-[3-(trifluoromethoxy)phenyl]benzene
CID 118994485
2-[2-chloro-3-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 119009643
4-chloro-2-(difluoromethoxy)-1-[3-(trifluoromethoxy)phenyl]benzene
CID 118828304
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-fluoro-3-[3-(trifluoromethoxy)phenyl]aniline
CID 134624108
7-[3-(trifluoromethoxy)phenyl]-1H-indole
CID 59107903
3-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 134624116

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene (CID 134619600) is 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene is FC(F)c1cccc(-c2cccc(OC(F)(F)F)c2)c1Cl.
What is the InChIKey of 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene?
The InChIKey is POCCLOCZSCGARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF5O/c15-12-10(5-2-6-11(12)13(16)17)8-3-1-4-9(7-8)21-14(18,19)20/h1-7,13H.
What are the key properties of 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene?
2-chloro-1-(difluoromethyl)-3-[3-(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 2-chloro-1-(difluoromethyl)-3-[3-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 134619600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).