3,3-difluoro-1-octylcyclopropene

C11H18F2 — CID 15709092

IUPAC3,3-difluoro-1-octylcyclopropene
SMILESCCCCCCCCC1=CC1(F)F
InChIInChI=1S/C11H18F2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h9H,2-8H2,1H3
InChIKeyLMCWRCBLSFWMEQ-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.31
Rot. Bonds7

About 3,3-difluoro-1-octylcyclopropene

3,3-difluoro-1-octylcyclopropene (PubChem CID 15709092) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 3,3-difluoro-1-octylcyclopropene.

Molecular Properties

Compound Name3,3-difluoro-1-octylcyclopropene
PubChem CID15709092
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name3,3-difluoro-1-octylcyclopropene
SMILESCCCCCCCCC1=CC1(F)F
InChIInChI=1S/C11H18F2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h9H,2-8H2,1H3
InChIKeyLMCWRCBLSFWMEQ-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.31
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-octylcyclopropene?
The IUPAC name of 3,3-difluoro-1-octylcyclopropene (CID 15709092) is 3,3-difluoro-1-octylcyclopropene.
What is the SMILES notation for 3,3-difluoro-1-octylcyclopropene?
The canonical SMILES for 3,3-difluoro-1-octylcyclopropene is CCCCCCCCC1=CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-octylcyclopropene?
The InChIKey is LMCWRCBLSFWMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-2-3-4-5-6-7-8-10-9-11(10,12)13/h9H,2-8H2,1H3.
What are the key properties of 3,3-difluoro-1-octylcyclopropene?
3,3-difluoro-1-octylcyclopropene has a molecular weight of 188.26 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-octylcyclopropene is sourced from PubChem (CID 15709092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).