1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene

C13H6ClF5 — CID 134629846

IUPAC1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene
SMILESFc1cc(C(F)F)c(Cl)cc1-c1cccc(F)c1F
InChIInChI=1S/C13H6ClF5/c14-9-4-7(11(16)5-8(9)13(18)19)6-2-1-3-10(15)12(6)17/h1-5,13H
InChIKeyRMCJLPKQMQAJDN-UHFFFAOYSA-N
MW292.63 g/mol
LogP5.36
Rot. Bonds2

About 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene

1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene (PubChem CID 134629846) has the molecular formula C13H6ClF5 and a molecular weight of 292.63 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene
PubChem CID134629846
Molecular FormulaC13H6ClF5
Molecular Weight292.63 g/mol
Exact Mass292.01
IUPAC Name1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene
SMILESFc1cc(C(F)F)c(Cl)cc1-c1cccc(F)c1F
InChIInChI=1S/C13H6ClF5/c14-9-4-7(11(16)5-8(9)13(18)19)6-2-1-3-10(15)12(6)17/h1-5,13H
InChIKeyRMCJLPKQMQAJDN-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.63
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]-2,3,4,5,6-pentafluorobenzene
CID 134629873
1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
CID 119023338
1,2,5-trichloro-3-[5-chloro-4-(difluoromethyl)-2-fluorophenyl]benzene
CID 118818698
1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 118837736
1-(2-chloro-4-methoxyphenyl)-2,3-difluorobenzene
CID 119001731
4-(2,3-difluorophenyl)-5-fluoro-2-methylaniline
CID 171916628
1,2-difluoro-3-(2-fluoro-5-iodophenyl)benzene
CID 134630207
1-chloro-2,3-difluorobenzene
CID 157449386
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1-(difluoromethyl)-2-(2,3-difluorophenyl)-3-methoxybenzene
CID 119003077
1-(3-chloro-4-methylphenyl)-2,3-difluorobenzene
CID 134625893
1-[5-chloro-2-(trifluoromethyl)phenyl]-2,3-difluorobenzene
CID 134629587

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene?
The IUPAC name of 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene (CID 134629846) is 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene?
The canonical SMILES for 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene is Fc1cc(C(F)F)c(Cl)cc1-c1cccc(F)c1F.
What is the InChIKey of 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene?
The InChIKey is RMCJLPKQMQAJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF5/c14-9-4-7(11(16)5-8(9)13(18)19)6-2-1-3-10(15)12(6)17/h1-5,13H.
What are the key properties of 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene?
1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene has a molecular weight of 292.63 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethyl)-5-(2,3-difluorophenyl)-4-fluorobenzene is sourced from PubChem (CID 134629846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).