3,3-difluoro-1-hexylcyclopropene

C9H14F2 — CID 15709091

IUPAC3,3-difluoro-1-hexylcyclopropene
SMILESCCCCCCC1=CC1(F)F
InChIInChI=1S/C9H14F2/c1-2-3-4-5-6-8-7-9(8,10)11/h7H,2-6H2,1H3
InChIKeyOULQZTAOIAEMSC-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.53
Rot. Bonds5

About 3,3-difluoro-1-hexylcyclopropene

3,3-difluoro-1-hexylcyclopropene (PubChem CID 15709091) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,3-difluoro-1-hexylcyclopropene.

Molecular Properties

Compound Name3,3-difluoro-1-hexylcyclopropene
PubChem CID15709091
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,3-difluoro-1-hexylcyclopropene
SMILESCCCCCCC1=CC1(F)F
InChIInChI=1S/C9H14F2/c1-2-3-4-5-6-8-7-9(8,10)11/h7H,2-6H2,1H3
InChIKeyOULQZTAOIAEMSC-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-hexylcyclopropene?
The IUPAC name of 3,3-difluoro-1-hexylcyclopropene (CID 15709091) is 3,3-difluoro-1-hexylcyclopropene.
What is the SMILES notation for 3,3-difluoro-1-hexylcyclopropene?
The canonical SMILES for 3,3-difluoro-1-hexylcyclopropene is CCCCCCC1=CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-hexylcyclopropene?
The InChIKey is OULQZTAOIAEMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-2-3-4-5-6-8-7-9(8,10)11/h7H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-hexylcyclopropene?
3,3-difluoro-1-hexylcyclopropene has a molecular weight of 160.21 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-hexylcyclopropene is sourced from PubChem (CID 15709091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).