3,3-difluoro-1,2-dipropylcyclopropene

C9H14F2 — CID 15709094

IUPAC3,3-difluoro-1,2-dipropylcyclopropene
SMILESCCCC1=C(CCC)C1(F)F
InChIInChI=1S/C9H14F2/c1-3-5-7-8(6-4-2)9(7,10)11/h3-6H2,1-2H3
InChIKeyMCINGOOANHKJJC-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.53
Rot. Bonds4

About 3,3-difluoro-1,2-dipropylcyclopropene

3,3-difluoro-1,2-dipropylcyclopropene (PubChem CID 15709094) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3,3-difluoro-1,2-dipropylcyclopropene.

Molecular Properties

Compound Name3,3-difluoro-1,2-dipropylcyclopropene
PubChem CID15709094
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3,3-difluoro-1,2-dipropylcyclopropene
SMILESCCCC1=C(CCC)C1(F)F
InChIInChI=1S/C9H14F2/c1-3-5-7-8(6-4-2)9(7,10)11/h3-6H2,1-2H3
InChIKeyMCINGOOANHKJJC-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,2-dipropylcyclopropene?
The IUPAC name of 3,3-difluoro-1,2-dipropylcyclopropene (CID 15709094) is 3,3-difluoro-1,2-dipropylcyclopropene.
What is the SMILES notation for 3,3-difluoro-1,2-dipropylcyclopropene?
The canonical SMILES for 3,3-difluoro-1,2-dipropylcyclopropene is CCCC1=C(CCC)C1(F)F.
What is the InChIKey of 3,3-difluoro-1,2-dipropylcyclopropene?
The InChIKey is MCINGOOANHKJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-3-5-7-8(6-4-2)9(7,10)11/h3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1,2-dipropylcyclopropene?
3,3-difluoro-1,2-dipropylcyclopropene has a molecular weight of 160.21 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,2-dipropylcyclopropene is sourced from PubChem (CID 15709094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).