1-chloro-3,3-difluoro-2-hexylcyclopropene

C9H13ClF2 — CID 101056234

IUPAC1-chloro-3,3-difluoro-2-hexylcyclopropene
SMILESCCCCCCC1=C(Cl)C1(F)F
InChIInChI=1S/C9H13ClF2/c1-2-3-4-5-6-7-8(10)9(7,11)12/h2-6H2,1H3
InChIKeyPFGXFKNQLUXBAB-UHFFFAOYSA-N
MW194.65 g/mol
LogP4.10
Rot. Bonds5

About 1-chloro-3,3-difluoro-2-hexylcyclopropene

1-chloro-3,3-difluoro-2-hexylcyclopropene (PubChem CID 101056234) has the molecular formula C9H13ClF2 and a molecular weight of 194.65 g/mol. Its IUPAC name is 1-chloro-3,3-difluoro-2-hexylcyclopropene.

Molecular Properties

Compound Name1-chloro-3,3-difluoro-2-hexylcyclopropene
PubChem CID101056234
Molecular FormulaC9H13ClF2
Molecular Weight194.65 g/mol
Exact Mass194.07
IUPAC Name1-chloro-3,3-difluoro-2-hexylcyclopropene
SMILESCCCCCCC1=C(Cl)C1(F)F
InChIInChI=1S/C9H13ClF2/c1-2-3-4-5-6-7-8(10)9(7,11)12/h2-6H2,1H3
InChIKeyPFGXFKNQLUXBAB-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.65
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3,3-difluoro-2-hexylcyclopropene?
The IUPAC name of 1-chloro-3,3-difluoro-2-hexylcyclopropene (CID 101056234) is 1-chloro-3,3-difluoro-2-hexylcyclopropene.
What is the SMILES notation for 1-chloro-3,3-difluoro-2-hexylcyclopropene?
The canonical SMILES for 1-chloro-3,3-difluoro-2-hexylcyclopropene is CCCCCCC1=C(Cl)C1(F)F.
What is the InChIKey of 1-chloro-3,3-difluoro-2-hexylcyclopropene?
The InChIKey is PFGXFKNQLUXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClF2/c1-2-3-4-5-6-7-8(10)9(7,11)12/h2-6H2,1H3.
What are the key properties of 1-chloro-3,3-difluoro-2-hexylcyclopropene?
1-chloro-3,3-difluoro-2-hexylcyclopropene has a molecular weight of 194.65 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3,3-difluoro-2-hexylcyclopropene is sourced from PubChem (CID 101056234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).