1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene

C12H15F — CID 174185530

IUPAC1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CF)c(C)c1C
InChIInChI=1S/C12H15F/c1-8(2)12-6-5-11(7-13)9(3)10(12)4/h5-6H,1,7H2,2-4H3
InChIKeyUQBKMVSOECOTKX-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.81
Rot. Bonds2

About 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene

1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene (PubChem CID 174185530) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene
PubChem CID174185530
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CF)c(C)c1C
InChIInChI=1S/C12H15F/c1-8(2)12-6-5-11(7-13)9(3)10(12)4/h5-6H,1,7H2,2-4H3
InChIKeyUQBKMVSOECOTKX-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(fluoromethyl)-2-methylphenyl]ethanone
CID 118460978
2-ethyl-1,3-dimethyl-4-prop-1-en-2-ylbenzene
CID 143363973
1,2,3,4-tetrakis(prop-1-en-2-yl)benzene
CID 19429816
2-chloro-3-methyl-4-prop-1-en-2-ylaniline
CID 142115554
1-(fluoromethyl)-2,3-dimethylbenzene
CID 15724442
3-(fluoromethyl)-2-methylbenzoyl chloride
CID 141403868
2-(5-methyl-2-prop-1-en-2-ylphenyl)ethanamine
CID 174410424
4-fluoro-1,2-bis(prop-1-en-2-yl)benzene
CID 139356848
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
ethane;2-(methoxymethyl)-4-methyl-1-prop-1-en-2-ylbenzene
CID 167502985
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene (CID 174185530) is 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(CF)c(C)c1C.
What is the InChIKey of 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene?
The InChIKey is UQBKMVSOECOTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-8(2)12-6-5-11(7-13)9(3)10(12)4/h5-6H,1,7H2,2-4H3.
What are the key properties of 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene?
1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene has a molecular weight of 178.25 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-2,3-dimethyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 174185530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).