1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene

C11H9Cl2F3 — CID 174837758

IUPAC1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene
SMILESCC(C)=Cc1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H9Cl2F3/c1-6(2)3-8-9(11(14,15)16)4-7(12)5-10(8)13/h3-5H,1-2H3
InChIKeyNNSKWLUEBUCDCR-UHFFFAOYSA-N
MW269.09 g/mol
LogP5.44
Rot. Bonds1

About 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene

1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene (PubChem CID 174837758) has the molecular formula C11H9Cl2F3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene
PubChem CID174837758
Molecular FormulaC11H9Cl2F3
Molecular Weight269.09 g/mol
Exact Mass268.00
IUPAC Name1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene
SMILESCC(C)=Cc1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C11H9Cl2F3/c1-6(2)3-8-9(11(14,15)16)4-7(12)5-10(8)13/h3-5H,1-2H3
InChIKeyNNSKWLUEBUCDCR-UHFFFAOYSA-N
XLogP5.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.09
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
N-[2,4-dichloro-6-(trifluoromethyl)phenyl]acetamide
CID 166487924
1-fluoro-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)benzene
CID 23105944
1,5-dichloro-2-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 19102260
1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134628470
CID 69435849
CID 69435849
5-chloro-2-methyl-3-(trifluoromethyl)aniline
CID 130983523
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
(E)-N-tert-butylsulfanyl-1-[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanimine;ethane
CID 155571534
1,5-dichloro-2-methoxy-3-(2,2,2-trifluoroethyl)benzene
CID 116932155
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-methylprop-2-enoic acid
CID 83661379
1,5-dichloro-3-methyl-2-(trifluoromethyl)benzene
CID 59146247

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene (CID 174837758) is 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene is CC(C)=Cc1c(Cl)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene?
The InChIKey is NNSKWLUEBUCDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2F3/c1-6(2)3-8-9(11(14,15)16)4-7(12)5-10(8)13/h3-5H,1-2H3.
What are the key properties of 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene?
1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene has a molecular weight of 269.09 g/mol, XLogP of 5.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 174837758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).