1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene

C11H11F3O — CID 57353749

IUPAC1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene
SMILESCOC=C(c1cccc(C)c1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8-4-3-5-9(6-8)10(7-15-2)11(12,13)14/h3-7H,1-2H3
InChIKeyLZZDFCXSCZFOKB-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.54
Rot. Bonds2

About 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene

1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene (PubChem CID 57353749) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene
PubChem CID57353749
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene
SMILESCOC=C(c1cccc(C)c1)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8-4-3-5-9(6-8)10(7-15-2)11(12,13)14/h3-7H,1-2H3
InChIKeyLZZDFCXSCZFOKB-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4,4-dimethyl-3-(3-methylphenyl)pent-2-en-1-ol
CID 115023711
3-methylbenzoic acid
CID 7418
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
CID 115038096
N-[(E)-3,3,3-trifluoro-1-(3-methylphenyl)prop-1-enyl]acetamide
CID 177439804
S-(trifluoromethyl) 3-methylbenzenecarbothioate
CID 132535617
1-(3-methoxy-3-methylbut-1-en-2-yl)-3-methylbenzene
CID 143192963
1-methyl-3-[(2E)-5-methylhexa-2,4-dien-2-yl]benzene
CID 174069312
bis(3-methylphenyl)methanone
CID 17848
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
2,2-difluoro-3-methyl-1-(3-methylphenyl)butan-1-one
CID 142960653
N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78858632

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene (CID 57353749) is 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene is COC=C(c1cccc(C)c1)C(F)(F)F.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene?
The InChIKey is LZZDFCXSCZFOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-8-4-3-5-9(6-8)10(7-15-2)11(12,13)14/h3-7H,1-2H3.
What are the key properties of 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene?
1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene has a molecular weight of 216.20 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)benzene is sourced from PubChem (CID 57353749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).