1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene

C11H12ClF3 — CID 148992984

IUPAC1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
SMILESCCc1cc(Cl)c(C(F)(F)F)c(CC)c1
InChIInChI=1S/C11H12ClF3/c1-3-7-5-8(4-2)10(9(12)6-7)11(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyPYBILMZJHMDPMK-UHFFFAOYSA-N
MW236.66 g/mol
LogP4.48
Rot. Bonds2

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

1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene (PubChem CID 148992984) has the molecular formula C11H12ClF3 and a molecular weight of 236.66 g/mol. Its IUPAC name is 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
PubChem CID148992984
Molecular FormulaC11H12ClF3
Molecular Weight236.66 g/mol
Exact Mass236.06
IUPAC Name1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
SMILESCCc1cc(Cl)c(C(F)(F)F)c(CC)c1
InChIInChI=1S/C11H12ClF3/c1-3-7-5-8(4-2)10(9(12)6-7)11(13,14)15/h5-6H,3-4H2,1-2H3
InChIKeyPYBILMZJHMDPMK-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene (CID 148992984) is 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene is CCc1cc(Cl)c(C(F)(F)F)c(CC)c1.
What is the InChIKey of 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene?
The InChIKey is PYBILMZJHMDPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3/c1-3-7-5-8(4-2)10(9(12)6-7)11(13,14)15/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene?
1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene has a molecular weight of 236.66 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 148992984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).