1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene

C9H7Cl2F3 — CID 122548871

IUPAC1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
SMILESCCc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2F3/c1-2-5-6(9(12,13)14)3-4-7(10)8(5)11/h3-4H,2H2,1H3
InChIKeyVDJSSDPOFYMJKT-UHFFFAOYSA-N
MW243.06 g/mol
LogP4.57
Rot. Bonds1

About 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene

1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene (PubChem CID 122548871) has the molecular formula C9H7Cl2F3 and a molecular weight of 243.06 g/mol. Its IUPAC name is 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
PubChem CID122548871
Molecular FormulaC9H7Cl2F3
Molecular Weight243.06 g/mol
Exact Mass241.99
IUPAC Name1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
SMILESCCc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C9H7Cl2F3/c1-2-5-6(9(12,13)14)3-4-7(10)8(5)11/h3-4H,2H2,1H3
InChIKeyVDJSSDPOFYMJKT-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine
CID 123938398
3-chloro-1,2-diethyl-4-(trifluoromethyl)benzene
CID 176694271
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
2,3-diethyl-4-(trifluoromethyl)phenol
CID 150673700
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
1-(2,3,6-trichlorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711097
[2-amino-3-chloro-6-(trifluoromethyl)phenyl]methanol
CID 119006450
1-(bromomethyl)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742793
azane;2,3-diethyl-4-(trifluoromethyl)pyridine
CID 174607382
N-[(2,3,6-trichlorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 43758457
[4-chloro-2-ethyl-3-(trifluoromethyl)phenyl]methanamine
CID 57355635
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene (CID 122548871) is 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene is CCc1c(C(F)(F)F)ccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene?
The InChIKey is VDJSSDPOFYMJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3/c1-2-5-6(9(12,13)14)3-4-7(10)8(5)11/h3-4H,2H2,1H3.
What are the key properties of 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene?
1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene has a molecular weight of 243.06 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 122548871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).