3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene

C12H18F2 — CID 143622573

IUPAC3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene
SMILESC=C1CC(F)(F)C(C)=C1CCCCC
InChIInChI=1S/C12H18F2/c1-4-5-6-7-11-9(2)8-12(13,14)10(11)3/h2,4-8H2,1,3H3
InChIKeyOSZFKWHYOVAIQN-UHFFFAOYSA-N
MW200.27 g/mol
LogP4.48
Rot. Bonds4

About 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene

3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene (PubChem CID 143622573) has the molecular formula C12H18F2 and a molecular weight of 200.27 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene
PubChem CID143622573
Molecular FormulaC12H18F2
Molecular Weight200.27 g/mol
Exact Mass200.14
IUPAC Name3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene
SMILESC=C1CC(F)(F)C(C)=C1CCCCC
InChIInChI=1S/C12H18F2/c1-4-5-6-7-11-9(2)8-12(13,14)10(11)3/h2,4-8H2,1,3H3
InChIKeyOSZFKWHYOVAIQN-UHFFFAOYSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-heptyl-4-methylpyrrole-2,5-dione
CID 19809262
1,2-di(heptadecyl)-5-methylidenecyclopenta-1,3-diene
CID 173118712
adamantane;hexane
CID 157109132
2-(hydroxymethyl)-3,5-dimethyl-6-undecylcyclohexa-2,5-dien-1-one
CID 70336436
cyclobutane;ethane;hexane
CID 143857678
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373
3-hydroxy-2-pentylcyclohex-2-en-1-one
CID 70170609
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
1,2-diheptylcyclopropene
CID 557048
ethane;octadecane
CID 143981738
ethane;bis(hexane);propane
CID 173306816

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene?
The IUPAC name of 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene (CID 143622573) is 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene.
What is the SMILES notation for 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene?
The canonical SMILES for 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene is C=C1CC(F)(F)C(C)=C1CCCCC.
What is the InChIKey of 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene?
The InChIKey is OSZFKWHYOVAIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2/c1-4-5-6-7-11-9(2)8-12(13,14)10(11)3/h2,4-8H2,1,3H3.
What are the key properties of 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene?
3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene has a molecular weight of 200.27 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-5-methylidene-1-pentylcyclopentene is sourced from PubChem (CID 143622573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).