1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene

C11H11F3 — CID 139526492

IUPAC1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene
SMILESC/C=C/c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3/c1-3-4-9-5-8(2)6-10(7-9)11(12,13)14/h3-7H,1-2H3/b4-3+
InChIKeyJOFQHAYTEDGUGG-ONEGZZNKSA-N
MW200.20 g/mol
LogP4.05
Rot. Bonds1

About 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene

1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene (PubChem CID 139526492) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene
PubChem CID139526492
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene
SMILESC/C=C/c1cc(C)cc(C(F)(F)F)c1
InChIInChI=1S/C11H11F3/c1-3-4-9-5-8(2)6-10(7-9)11(12,13)14/h3-7H,1-2H3/b4-3+
InChIKeyJOFQHAYTEDGUGG-ONEGZZNKSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482331
N-methyl-4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170496221
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
CID 145201590
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylbenzaldehyde
CID 122475861
3-methyl-5-prop-1-enylphenol
CID 150421190
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
[(E)-2-[3,5-bis(trifluoromethyl)phenyl]ethenyl]-trimethylsilane
CID 15312137
1-methoxy-3-methyl-5-[(Z)-prop-1-enyl]benzene
CID 89073542
1-methyl-3-(trifluoromethyl)-5-(trifluoromethylsulfonylmethyl)benzene
CID 158352048
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 155699105

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene (CID 139526492) is 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene is C/C=C/c1cc(C)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene?
The InChIKey is JOFQHAYTEDGUGG-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H11F3/c1-3-4-9-5-8(2)6-10(7-9)11(12,13)14/h3-7H,1-2H3/b4-3+.
What are the key properties of 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene?
1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene has a molecular weight of 200.20 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 139526492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).