2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene

C13H7Cl2F3 — CID 119008035

IUPAC2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
SMILESFc1cc(-c2ccc(Cl)cc2Cl)ccc1C(F)F
InChIInChI=1S/C13H7Cl2F3/c14-8-2-4-9(11(15)6-8)7-1-3-10(13(17)18)12(16)5-7/h1-6,13H
InChIKeyNEGSIFFSUQEGHB-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.74
Rot. Bonds2

About 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene

2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene (PubChem CID 119008035) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene.

Molecular Properties

Compound Name2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
PubChem CID119008035
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
SMILESFc1cc(-c2ccc(Cl)cc2Cl)ccc1C(F)F
InChIInChI=1S/C13H7Cl2F3/c14-8-2-4-9(11(15)6-8)7-1-3-10(13(17)18)12(16)5-7/h1-6,13H
InChIKeyNEGSIFFSUQEGHB-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.10
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 134623230
5-(2,4-dichlorophenyl)-2-fluoroaniline
CID 91827858
4-(2,4-dichlorophenyl)-2-fluorobenzoic acid
CID 53211711
2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
1,2,3-trichloro-5-[4-chloro-2-(difluoromethyl)phenyl]benzene
CID 118809022
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
CID 130359097
2,4-dichloro-1-phenylbenzene;methane;dihydrochloride
CID 175257985
4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2,4-dichloro-1-[4-(trifluoromethoxy)phenyl]benzene
CID 119008449
4-chloro-2-(difluoromethyl)-1-[4-(trifluoromethoxy)phenyl]benzene
CID 118844964
4-[5-chloro-2-(difluoromethyl)phenyl]-1H-pyridin-2-one
CID 152730803

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene?
The IUPAC name of 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene (CID 119008035) is 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene.
What is the SMILES notation for 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene?
The canonical SMILES for 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene is Fc1cc(-c2ccc(Cl)cc2Cl)ccc1C(F)F.
What is the InChIKey of 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene?
The InChIKey is NEGSIFFSUQEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-8-2-4-9(11(15)6-8)7-1-3-10(13(17)18)12(16)5-7/h1-6,13H.
What are the key properties of 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene?
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene has a molecular weight of 291.10 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene is sourced from PubChem (CID 119008035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).