1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene

C11H11F3 — CID 118269320

IUPAC1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3/c1-7-2-5-9(8-3-4-8)10(6-7)11(12,13)14/h2,5-6,8H,3-4H2,1H3
InChIKeyWUDHQEALACSFCR-UHFFFAOYSA-N
MW200.20 g/mol
LogP3.89
Rot. Bonds1

About 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene

1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene (PubChem CID 118269320) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
PubChem CID118269320
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
SMILESCc1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3/c1-7-2-5-9(8-3-4-8)10(6-7)11(12,13)14/h2,5-6,8H,3-4H2,1H3
InChIKeyWUDHQEALACSFCR-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene (CID 118269320) is 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene is Cc1ccc(C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene?
The InChIKey is WUDHQEALACSFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3/c1-7-2-5-9(8-3-4-8)10(6-7)11(12,13)14/h2,5-6,8H,3-4H2,1H3.
What are the key properties of 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene?
1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene has a molecular weight of 200.20 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 118269320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).