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

C11H11F3 — CID 13275083

IUPAC1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESCC1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3/c1-7-6-10(7)8-2-4-9(5-3-8)11(12,13)14/h2-5,7,10H,6H2,1H3
InChIKeyQMGRIKXSRSSPKW-UHFFFAOYSA-N
MW200.20 g/mol
LogP3.83
Rot. Bonds1

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

1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene (PubChem CID 13275083) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene
PubChem CID13275083
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene
SMILESCC1CC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3/c1-7-6-10(7)8-2-4-9(5-3-8)11(12,13)14/h2-5,7,10H,6H2,1H3
InChIKeyQMGRIKXSRSSPKW-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene (CID 13275083) is 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene is CC1CC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene?
The InChIKey is QMGRIKXSRSSPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3/c1-7-6-10(7)8-2-4-9(5-3-8)11(12,13)14/h2-5,7,10H,6H2,1H3.
What are the key properties of 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene?
1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene has a molecular weight of 200.20 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 13275083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).