1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene

C11H11F3 — CID 11063442

IUPAC1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
SMILESC[C@@H]1C[C@H]1c1ccc(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/t7-,10-/m1/s1
InChIKeyQMGRIKXSRSSPKW-GMSGAONNSA-N
MW200.20 g/mol
LogP3.83
Rot. Bonds1

About 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene

1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene (PubChem CID 11063442) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
PubChem CID11063442
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene
SMILESC[C@@H]1C[C@H]1c1ccc(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/t7-,10-/m1/s1
InChIKeyQMGRIKXSRSSPKW-GMSGAONNSA-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

Analyze 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene (CID 11063442) is 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene is C[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene?
The InChIKey is QMGRIKXSRSSPKW-GMSGAONNSA-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/t7-,10-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene?
1-[(1R,2R)-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-[(1R,2R)-2-methylcyclopropyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11063442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).