5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene

C9H3ClF8 — CID 119001959

IUPAC5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
SMILESFC(F)c1c(C(F)(F)F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H3ClF8/c10-3-1-4(8(13,14)15)6(7(11)12)5(2-3)9(16,17)18/h1-2,7H
InChIKeyGWEHDPJNEGMWAQ-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.32
Rot. Bonds1

About 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene

5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene (PubChem CID 119001959) has the molecular formula C9H3ClF8 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
PubChem CID119001959
Molecular FormulaC9H3ClF8
Molecular Weight298.56 g/mol
Exact Mass297.98
IUPAC Name5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
SMILESFC(F)c1c(C(F)(F)F)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H3ClF8/c10-3-1-4(8(13,14)15)6(7(11)12)5(2-3)9(16,17)18/h1-2,7H
InChIKeyGWEHDPJNEGMWAQ-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene (CID 119001959) is 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene is FC(F)c1c(C(F)(F)F)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene?
The InChIKey is GWEHDPJNEGMWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClF8/c10-3-1-4(8(13,14)15)6(7(11)12)5(2-3)9(16,17)18/h1-2,7H.
What are the key properties of 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene?
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene has a molecular weight of 298.56 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 119001959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).