3,3-difluoro-1-iodo-2-pentylcyclopropene

C8H11F2I — CID 11065563

IUPAC3,3-difluoro-1-iodo-2-pentylcyclopropene
SMILESCCCCCC1=C(I)C1(F)F
InChIInChI=1S/C8H11F2I/c1-2-3-4-5-6-7(11)8(6,9)10/h2-5H2,1H3
InChIKeyAUPJAOGBRXIKIK-UHFFFAOYSA-N
MW272.08 g/mol
LogP3.90
Rot. Bonds4

About 3,3-difluoro-1-iodo-2-pentylcyclopropene

3,3-difluoro-1-iodo-2-pentylcyclopropene (PubChem CID 11065563) has the molecular formula C8H11F2I and a molecular weight of 272.08 g/mol. Its IUPAC name is 3,3-difluoro-1-iodo-2-pentylcyclopropene.

Molecular Properties

Compound Name3,3-difluoro-1-iodo-2-pentylcyclopropene
PubChem CID11065563
Molecular FormulaC8H11F2I
Molecular Weight272.08 g/mol
Exact Mass271.99
IUPAC Name3,3-difluoro-1-iodo-2-pentylcyclopropene
SMILESCCCCCC1=C(I)C1(F)F
InChIInChI=1S/C8H11F2I/c1-2-3-4-5-6-7(11)8(6,9)10/h2-5H2,1H3
InChIKeyAUPJAOGBRXIKIK-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.08
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-1-iodo-2-pentylcyclopropene 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

5-(2-Fluoro-1-iodoethylidene)nonane
CID 125489824
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-propylnon-4-ene
CID 10742421
1-Butyl-3,3-difluoro-2-octylcyclopropene
CID 101781897
1-Decyl-3,3-difluoro-2-iodocyclopropene
CID 11002369
3,3-Difluoro-1-hexyl-2-iodocyclopropene
CID 11033434
3,3-Difluoro-1-pentyl-2-(trifluoromethyl)cyclopropene
CID 11806048
4-(2-Bromo-2,2-difluoro-1-iodoethylidene)heptane
CID 140227824
(1Z,4R)-3,3-difluoro-4-iodo-1-methylcyclooctene
CID 156282361
(1E)-3,3-difluoro-6-iodo-1-methylcyclooctene
CID 174020320
3,3-Difluoro-2-iodo-1-methylcyclohexene
CID 174179725
(E)-6,6,7,7,8,8,9,9,9-nonafluoro-4-iodo-5-methylnon-4-ene
CID 10646165
1-Decyl-3,3-difluoro-2-(trifluoromethyl)cyclopropene
CID 10968037

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-iodo-2-pentylcyclopropene?
The IUPAC name of 3,3-difluoro-1-iodo-2-pentylcyclopropene (CID 11065563) is 3,3-difluoro-1-iodo-2-pentylcyclopropene.
What is the SMILES notation for 3,3-difluoro-1-iodo-2-pentylcyclopropene?
The canonical SMILES for 3,3-difluoro-1-iodo-2-pentylcyclopropene is CCCCCC1=C(I)C1(F)F.
What is the InChIKey of 3,3-difluoro-1-iodo-2-pentylcyclopropene?
The InChIKey is AUPJAOGBRXIKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2I/c1-2-3-4-5-6-7(11)8(6,9)10/h2-5H2,1H3.
What are the key properties of 3,3-difluoro-1-iodo-2-pentylcyclopropene?
3,3-difluoro-1-iodo-2-pentylcyclopropene has a molecular weight of 272.08 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-iodo-2-pentylcyclopropene is sourced from PubChem (CID 11065563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).