3,3-difluoro-5-methylcyclopentene

C6H8F2 — CID 12757173

IUPAC3,3-difluoro-5-methylcyclopentene
SMILESCC1C=CC(F)(F)C1
InChIInChI=1S/C6H8F2/c1-5-2-3-6(7,8)4-5/h2-3,5H,4H2,1H3
InChIKeyAVASFEAVZJTOST-UHFFFAOYSA-N
MW118.13 g/mol
LogP2.22
Rot. Bonds

About 3,3-difluoro-5-methylcyclopentene

3,3-difluoro-5-methylcyclopentene (PubChem CID 12757173) has the molecular formula C6H8F2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 3,3-difluoro-5-methylcyclopentene.

Molecular Properties

Compound Name3,3-difluoro-5-methylcyclopentene
PubChem CID12757173
Molecular FormulaC6H8F2
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name3,3-difluoro-5-methylcyclopentene
SMILESCC1C=CC(F)(F)C1
InChIInChI=1S/C6H8F2/c1-5-2-3-6(7,8)4-5/h2-3,5H,4H2,1H3
InChIKeyAVASFEAVZJTOST-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 52.22
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

3-Methylcyclopentene
CID 14263
3,5-Dimethylcyclopentene
CID 522549
3-(Trifluoromethyl)cyclohexene
CID 15104043
(3R)-3-(trifluoromethyl)cyclohexene
CID 155430875
4,4-Difluoro-3-methylcyclopentene
CID 12757174
(E)-6,6,6-trifluoro-5-(trifluoromethyl)hex-2-ene
CID 23233539
4-(2,2-Difluoroethenyl)cyclopentene
CID 134919912
3-(2,2-Difluoroethenyl)cyclopentene
CID 134989112
(S)-3-Methylcyclopentene
CID 11018803
(r)-3-Methyl-cyclopentene
CID 11040623
1,5-Undecadiene, 6,7,7,8,8,9,9,10,10,11,11,11-dodecafluoro-3-methyl-
CID 5364385
2-Hexene, 6,6,6-trifluoro-5-(trifluoromethyl)-, (Z)-
CID 5364828

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-methylcyclopentene?
The IUPAC name of 3,3-difluoro-5-methylcyclopentene (CID 12757173) is 3,3-difluoro-5-methylcyclopentene.
What is the SMILES notation for 3,3-difluoro-5-methylcyclopentene?
The canonical SMILES for 3,3-difluoro-5-methylcyclopentene is CC1C=CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-5-methylcyclopentene?
The InChIKey is AVASFEAVZJTOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2/c1-5-2-3-6(7,8)4-5/h2-3,5H,4H2,1H3.
What are the key properties of 3,3-difluoro-5-methylcyclopentene?
3,3-difluoro-5-methylcyclopentene has a molecular weight of 118.13 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-methylcyclopentene is sourced from PubChem (CID 12757173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).