1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene

C12H13F3 — CID 160836362

IUPAC1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CCC2CC2)cc1
InChIInChI=1S/C12H13F3/c13-12(14,15)11-7-5-10(6-8-11)4-3-9-1-2-9/h5-9H,1-4H2
InChIKeySHLOIPWCKNSKKL-UHFFFAOYSA-N
MW214.23 g/mol
LogP4.05
Rot. Bonds3

About 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene

1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene (PubChem CID 160836362) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
PubChem CID160836362
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(CCC2CC2)cc1
InChIInChI=1S/C12H13F3/c13-12(14,15)11-7-5-10(6-8-11)4-3-9-1-2-9/h5-9H,1-4H2
InChIKeySHLOIPWCKNSKKL-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-(4-methylcyclohexyl)ethyl]-4-[4-(trifluoromethyl)phenyl]benzene
CID 22886828
3-[4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl]cyclohexyl]propanal
CID 21459472
3-[2-[4-(trifluoromethyl)phenyl]ethyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 167080885
4-[4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]phenol
CID 70873700
[4-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclohexyl] but-2-enoate
CID 54325712
4-[2-[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]cyclohexan-1-amine
CID 162565754
4-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 83261999
6-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-azabicyclo[3.1.0]hexane
CID 69404406
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
1-[bis[4-(2-cyclopropylethyl)phenyl]methyl]-4-(2-cyclopropylethyl)benzene
CID 156895542
4-(2-cyclopropylethyl)pyridine
CID 54011262
N-[2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
CID 62114541

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene (CID 160836362) is 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(CCC2CC2)cc1.
What is the InChIKey of 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene?
The InChIKey is SHLOIPWCKNSKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c13-12(14,15)11-7-5-10(6-8-11)4-3-9-1-2-9/h5-9H,1-4H2.
What are the key properties of 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene?
1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene has a molecular weight of 214.23 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylethyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 160836362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).