1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene

C9H5Cl2F5 — CID 130277244

IUPAC1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)c1c(Cl)cc(CC(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl2F5/c10-5-1-4(3-9(14,15)16)2-6(11)7(5)8(12)13/h1-2,8H,3H2
InChIKeyMDEPDGTTWRSNOZ-UHFFFAOYSA-N
MW279.04 g/mol
LogP5.04
Rot. Bonds2

About 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene

1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene (PubChem CID 130277244) has the molecular formula C9H5Cl2F5 and a molecular weight of 279.04 g/mol. Its IUPAC name is 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene
PubChem CID130277244
Molecular FormulaC9H5Cl2F5
Molecular Weight279.04 g/mol
Exact Mass277.97
IUPAC Name1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene
SMILESFC(F)c1c(Cl)cc(CC(F)(F)F)cc1Cl
InChIInChI=1S/C9H5Cl2F5/c10-5-1-4(3-9(14,15)16)2-6(11)7(5)8(12)13/h1-2,8H,3H2
InChIKeyMDEPDGTTWRSNOZ-UHFFFAOYSA-N
XLogP5.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.04
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene (CID 130277244) is 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene is FC(F)c1c(Cl)cc(CC(F)(F)F)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene?
The InChIKey is MDEPDGTTWRSNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2F5/c10-5-1-4(3-9(14,15)16)2-6(11)7(5)8(12)13/h1-2,8H,3H2.
What are the key properties of 1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene?
1,3-dichloro-2-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene has a molecular weight of 279.04 g/mol, XLogP of 5.04, 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-(difluoromethyl)-5-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 130277244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).