1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene

C11H11F3O2 — CID 67275117

IUPAC1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene
SMILESCC=C(OC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-3-10(15-2)8-5-4-6-9(7-8)16-11(12,13)14/h3-7H,1-2H3
InChIKeyRNSQJSRACRFDCS-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.59
Rot. Bonds3

About 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene

1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene (PubChem CID 67275117) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene
PubChem CID67275117
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene
SMILESCC=C(OC)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C11H11F3O2/c1-3-10(15-2)8-5-4-6-9(7-8)16-11(12,13)14/h3-7H,1-2H3
InChIKeyRNSQJSRACRFDCS-UHFFFAOYSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(2S)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120525960
(2R)-2-[[3-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 120526943
1-(5-chloropent-2-en-2-yl)-3-(trifluoromethoxy)benzene
CID 79593116
3-(trifluoromethoxy)benzamide;hydrochloride
CID 66971456
(E)-3-(dimethylamino)-2-[3-(trifluoromethoxy)phenyl]prop-2-enenitrile
CID 87070148
ethane;3-(trifluoromethoxy)phenol
CID 143201974
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene (CID 67275117) is 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene is CC=C(OC)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene?
The InChIKey is RNSQJSRACRFDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-3-10(15-2)8-5-4-6-9(7-8)16-11(12,13)14/h3-7H,1-2H3.
What are the key properties of 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene?
1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene has a molecular weight of 232.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyprop-1-enyl)-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 67275117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).