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

C13H7Cl2F3 — CID 118837736

IUPAC1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
SMILESFc1ccc(-c2cccc(Cl)c2Cl)cc1C(F)F
InChIInChI=1S/C13H7Cl2F3/c14-10-3-1-2-8(12(10)15)7-4-5-11(16)9(6-7)13(17)18/h1-6,13H
InChIKeyGTDPBPWOMZMMAH-UHFFFAOYSA-N
MW291.10 g/mol
LogP5.74
Rot. Bonds2

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

1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene (PubChem CID 118837736) has the molecular formula C13H7Cl2F3 and a molecular weight of 291.10 g/mol. Its IUPAC name is 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
PubChem CID118837736
Molecular FormulaC13H7Cl2F3
Molecular Weight291.10 g/mol
Exact Mass289.99
IUPAC Name1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
SMILESFc1ccc(-c2cccc(Cl)c2Cl)cc1C(F)F
InChIInChI=1S/C13H7Cl2F3/c14-10-3-1-2-8(12(10)15)7-4-5-11(16)9(6-7)13(17)18/h1-6,13H
InChIKeyGTDPBPWOMZMMAH-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

1,2,4-trichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene
CID 134622495
1,2-dichloro-3-[2-(difluoromethyl)-4-fluorophenyl]benzene
CID 119017251
1,2-dichloro-3-(4-fluorophenyl)benzene
CID 57058690
1,2-dichloro-3-[4-chloro-3-(difluoromethoxy)phenyl]benzene
CID 118822247
2-[4-(2,3-dichlorophenyl)-2-fluorophenyl]acetic acid
CID 118835610
1,2,5-trichloro-3-[2-chloro-6-(difluoromethyl)phenyl]benzene
CID 134617250
2,4-dichloro-1-[4-(difluoromethyl)-3-fluorophenyl]benzene
CID 119008035
3-(2,3-dichlorophenyl)-1,2,4,5-tetrafluorobenzene
CID 118803913
1,2-dichloro-4-[3-chloro-2-(difluoromethyl)phenyl]benzene
CID 134625952
2-(2,3-dichlorophenyl)-3-fluoropyridine
CID 118819260
1,2-dichloro-3-[5-chloro-2-(difluoromethoxy)phenyl]benzene
CID 134629574
1,2-dichloro-3-[4-iodo-3-(trifluoromethyl)phenyl]benzene
CID 134617667

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene?
The IUPAC name of 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene (CID 118837736) is 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene is Fc1ccc(-c2cccc(Cl)c2Cl)cc1C(F)F.
What is the InChIKey of 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene?
The InChIKey is GTDPBPWOMZMMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3/c14-10-3-1-2-8(12(10)15)7-4-5-11(16)9(6-7)13(17)18/h1-6,13H.
What are the key properties of 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene?
1,2-dichloro-3-[3-(difluoromethyl)-4-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 1,2-dichloro-3-[3-(difluoromethyl)-4-fluorophenyl]benzene is sourced from PubChem (CID 118837736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).