1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene

C13H7ClF4 — CID 119023338

IUPAC1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
SMILESFc1cccc(-c2ccc(C(F)F)cc2Cl)c1F
InChIInChI=1S/C13H7ClF4/c14-10-6-7(13(17)18)4-5-8(10)9-2-1-3-11(15)12(9)16/h1-6,13H
InChIKeySWHYCRXORPIUJB-UHFFFAOYSA-N
MW274.64 g/mol
LogP5.22
Rot. Bonds2

About 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene

1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene (PubChem CID 119023338) has the molecular formula C13H7ClF4 and a molecular weight of 274.64 g/mol. Its IUPAC name is 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
PubChem CID119023338
Molecular FormulaC13H7ClF4
Molecular Weight274.64 g/mol
Exact Mass274.02
IUPAC Name1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
SMILESFc1cccc(-c2ccc(C(F)F)cc2Cl)c1F
InChIInChI=1S/C13H7ClF4/c14-10-6-7(13(17)18)4-5-8(10)9-2-1-3-11(15)12(9)16/h1-6,13H
InChIKeySWHYCRXORPIUJB-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.64
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 119017107
1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 134628125
1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene
CID 134629846
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
1-[4-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 118822699
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
1-[4-(difluoromethyl)-2-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134628121
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)-2,4-difluorobenzene
CID 141040222
1-(difluoromethyl)-3-(2,3-difluorophenyl)-5-methoxybenzene
CID 118809599
3-(2,4-dichlorophenyl)-2-fluorobenzonitrile
CID 134617900

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene?
The IUPAC name of 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene (CID 119023338) is 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene is Fc1cccc(-c2ccc(C(F)F)cc2Cl)c1F.
What is the InChIKey of 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene?
The InChIKey is SWHYCRXORPIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4/c14-10-6-7(13(17)18)4-5-8(10)9-2-1-3-11(15)12(9)16/h1-6,13H.
What are the key properties of 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene?
1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene has a molecular weight of 274.64 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene is sourced from PubChem (CID 119023338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).