1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene

C9H11F3 — CID 57237345

IUPAC1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene
SMILESC=C1CC=C(C)C1CC(F)(F)F
InChIInChI=1S/C9H11F3/c1-6-3-4-7(2)8(6)5-9(10,11)12/h4,8H,1,3,5H2,2H3
InChIKeyWGYOSPDKDZYBGI-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.46
Rot. Bonds1

About 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene

1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene (PubChem CID 57237345) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene.

Molecular Properties

Compound Name1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene
PubChem CID57237345
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene
SMILESC=C1CC=C(C)C1CC(F)(F)F
InChIInChI=1S/C9H11F3/c1-6-3-4-7(2)8(6)5-9(10,11)12/h4,8H,1,3,5H2,2H3
InChIKeyWGYOSPDKDZYBGI-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,5-Dimethylcyclopentene
CID 86014
1,4-Dimethylcyclopentene
CID 89185
1-Ethyl-5-methyl-cyclopentene
CID 557171
Citronellyl fluoride
CID 14669912
(R)-2,6-Dimethyl-8,8-difluoro-2-octene
CID 101488936
4-Propan-2-yl-1-(trifluoromethyl)cyclohexene
CID 118030314
4,4-Difluoro-3-methylcyclopentene
CID 12757174
[(E)-2,3,3,3-tetrafluoroprop-1-enyl]cyclopentane
CID 11480825
(4R,6S)-6-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 134850854
(4R,6R)-6-fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 134850967
6-Fluoro-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 134969062
(R)-1,1-difluoro-5,9-dimethyldeca-1,2,8-triene
CID 162623291

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene?
The IUPAC name of 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene (CID 57237345) is 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene.
What is the SMILES notation for 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene?
The canonical SMILES for 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene is C=C1CC=C(C)C1CC(F)(F)F.
What is the InChIKey of 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene?
The InChIKey is WGYOSPDKDZYBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c1-6-3-4-7(2)8(6)5-9(10,11)12/h4,8H,1,3,5H2,2H3.
What are the key properties of 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene?
1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene has a molecular weight of 176.18 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylidene-5-(2,2,2-trifluoroethyl)cyclopentene is sourced from PubChem (CID 57237345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).