2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene

C12H11F3O — CID 118269282

IUPAC2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene
SMILESC=Cc1cccc(OC(F)(F)F)c1C1CC1
InChIInChI=1S/C12H11F3O/c1-2-8-4-3-5-10(16-12(13,14)15)11(8)9-6-7-9/h2-5,9H,1,6-7H2
InChIKeyWQMFTRQBRMGTAI-UHFFFAOYSA-N
MW228.21 g/mol
LogP4.11
Rot. Bonds3

About 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene

2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene (PubChem CID 118269282) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene
PubChem CID118269282
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene
SMILESC=Cc1cccc(OC(F)(F)F)c1C1CC1
InChIInChI=1S/C12H11F3O/c1-2-8-4-3-5-10(16-12(13,14)15)11(8)9-6-7-9/h2-5,9H,1,6-7H2
InChIKeyWQMFTRQBRMGTAI-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene?
The IUPAC name of 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene (CID 118269282) is 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene?
The canonical SMILES for 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene is C=Cc1cccc(OC(F)(F)F)c1C1CC1.
What is the InChIKey of 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene?
The InChIKey is WQMFTRQBRMGTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c1-2-8-4-3-5-10(16-12(13,14)15)11(8)9-6-7-9/h2-5,9H,1,6-7H2.
What are the key properties of 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene?
2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene has a molecular weight of 228.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 118269282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).