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

C13H7Cl3F2 — CID 119017107

IUPAC1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3F2/c14-9-2-1-3-10(15)12(9)8-5-4-7(13(17)18)6-11(8)16/h1-6,13H
InChIKeyAWJGKOPWVGQUCW-UHFFFAOYSA-N
MW307.55 g/mol
LogP6.25
Rot. Bonds2

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

1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene (PubChem CID 119017107) has the molecular formula C13H7Cl3F2 and a molecular weight of 307.55 g/mol. Its IUPAC name is 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
PubChem CID119017107
Molecular FormulaC13H7Cl3F2
Molecular Weight307.55 g/mol
Exact Mass305.96
IUPAC Name1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene
SMILESFC(F)c1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1
InChIInChI=1S/C13H7Cl3F2/c14-9-2-1-3-10(15)12(9)8-5-4-7(13(17)18)6-11(8)16/h1-6,13H
InChIKeyAWJGKOPWVGQUCW-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.55
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-trichloro-5-[2-chloro-4-(difluoromethyl)phenyl]benzene
CID 134628125
1-[2-chloro-4-(difluoromethyl)phenyl]-2,3-difluorobenzene
CID 119023338
1,3,5-trichloro-2-[4-(difluoromethyl)-2-(trifluoromethyl)phenyl]benzene
CID 118828795
1,3-dichloro-2-(2-chloro-4-methoxyphenyl)benzene
CID 119018458
4-[2-chloro-4-(difluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 117360992
2,4-dichloro-1-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625949
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
1-chloro-4-(difluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 118999324
[3-[2-chloro-4-(difluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117403158
1,3-dichloro-2-[2-chloro-3-(difluoromethoxy)phenyl]benzene
CID 119010912
1,2,3-trichloro-5-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 118843076
1,3,5-trichloro-2-[2-chloro-4-(difluoromethoxy)phenyl]benzene
CID 134627689

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene?
The IUPAC name of 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene (CID 119017107) is 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene?
The canonical SMILES for 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene is FC(F)c1ccc(-c2c(Cl)cccc2Cl)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene?
The InChIKey is AWJGKOPWVGQUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F2/c14-9-2-1-3-10(15)12(9)8-5-4-7(13(17)18)6-11(8)16/h1-6,13H.
What are the key properties of 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene?
1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene has a molecular weight of 307.55 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[2-chloro-4-(difluoromethyl)phenyl]benzene is sourced from PubChem (CID 119017107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).