1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene

C11H11F3O — CID 71422189

IUPAC1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
SMILESC=CC(OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O/c1-3-10(15-2)8-4-6-9(7-5-8)11(12,13)14/h3-7,10H,1H2,2H3
InChIKeyXDPYIQPXMAZAPK-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.58
Rot. Bonds3

About 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene

1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene (PubChem CID 71422189) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
PubChem CID71422189
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
SMILESC=CC(OC)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H11F3O/c1-3-10(15-2)8-4-6-9(7-5-8)11(12,13)14/h3-7,10H,1H2,2H3
InChIKeyXDPYIQPXMAZAPK-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-[chloro(methoxy)methyl]-4-(trifluoromethyl)benzene
CID 15657440
N-ethyl-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 105000583
1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
CID 154713677
(1S,3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]pent-4-en-1-ol
CID 132560145
1-[3-[(E)-3-methoxy-3-[4-(trifluoromethyl)phenyl]prop-1-enyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 171092796
2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 135083889
2-bromo-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 162536699
(2S)-2-methoxy-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 97052451
1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene
CID 139248361
(2S)-2-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 92974659
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene (CID 71422189) is 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene is C=CC(OC)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene?
The InChIKey is XDPYIQPXMAZAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-3-10(15-2)8-4-6-9(7-5-8)11(12,13)14/h3-7,10H,1H2,2H3.
What are the key properties of 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene?
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene has a molecular weight of 216.20 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 71422189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).