1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene

C12H11F3O — CID 118268925

IUPAC1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(C2CC2)c(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3O/c1-2-8-3-6-10(9-4-5-9)11(7-8)16-12(13,14)15/h2-3,6-7,9H,1,4-5H2
InChIKeyNGIRRSSQMDDRFP-UHFFFAOYSA-N
MW228.21 g/mol
LogP4.11
Rot. Bonds3

About 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene

1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene (PubChem CID 118268925) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
PubChem CID118268925
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene
SMILESC=Cc1ccc(C2CC2)c(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3O/c1-2-8-3-6-10(9-4-5-9)11(7-8)16-12(13,14)15/h2-3,6-7,9H,1,4-5H2
InChIKeyNGIRRSSQMDDRFP-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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Related Compounds

2-cyclopropyl-1-ethenyl-3-(trifluoromethoxy)benzene
CID 118269282
1-[5-ethenyl-2-(trifluoromethoxy)phenyl]-3,5-difluorobenzene
CID 172879664
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
1,2-dicyclohexyl-4-ethenylbenzene
CID 23508601
4-ethenyl-1-phenylmethoxy-2-(trifluoromethoxy)benzene
CID 155293536
2-cyclopropyl-4-ethynyl-1-(trifluoromethoxy)benzene
CID 170994931
2-(3,4-dimethylphenyl)-4-ethenyl-1-(trifluoromethoxy)benzene
CID 172879658
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055
4-[4-(2-aminoethylamino)cyclohexyl]-3-(trifluoromethoxy)benzonitrile;hydrochloride
CID 18789778
4-[5-ethenyl-2-(trifluoromethoxy)phenyl]-1-(oxan-2-yl)pyrazole
CID 172906877
2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
CID 174897462
3-[2-(trifluoromethoxy)phenyl]cyclopentan-1-amine
CID 64505049

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene (CID 118268925) is 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene is C=Cc1ccc(C2CC2)c(OC(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene?
The InChIKey is NGIRRSSQMDDRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O/c1-2-8-3-6-10(9-4-5-9)11(7-8)16-12(13,14)15/h2-3,6-7,9H,1,4-5H2.
What are the key properties of 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene?
1-cyclopropyl-4-ethenyl-2-(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 1-cyclopropyl-4-ethenyl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 118268925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).