1,1-difluoro-2-hexylcyclopropane

C9H16F2 — CID 23235827

IUPAC1,1-difluoro-2-hexylcyclopropane
SMILESCCCCCCC1CC1(F)F
InChIInChI=1S/C9H16F2/c1-2-3-4-5-6-8-7-9(8,10)11/h8H,2-7H2,1H3
InChIKeyMEPHLMVDGUBSIY-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.61
Rot. Bonds5

About 1,1-difluoro-2-hexylcyclopropane

1,1-difluoro-2-hexylcyclopropane (PubChem CID 23235827) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 1,1-difluoro-2-hexylcyclopropane.

Molecular Properties

Compound Name1,1-difluoro-2-hexylcyclopropane
PubChem CID23235827
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name1,1-difluoro-2-hexylcyclopropane
SMILESCCCCCCC1CC1(F)F
InChIInChI=1S/C9H16F2/c1-2-3-4-5-6-8-7-9(8,10)11/h8H,2-7H2,1H3
InChIKeyMEPHLMVDGUBSIY-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.61
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 1,1-difluoro-2-hexylcyclopropane?
The IUPAC name of 1,1-difluoro-2-hexylcyclopropane (CID 23235827) is 1,1-difluoro-2-hexylcyclopropane.
What is the SMILES notation for 1,1-difluoro-2-hexylcyclopropane?
The canonical SMILES for 1,1-difluoro-2-hexylcyclopropane is CCCCCCC1CC1(F)F.
What is the InChIKey of 1,1-difluoro-2-hexylcyclopropane?
The InChIKey is MEPHLMVDGUBSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2/c1-2-3-4-5-6-8-7-9(8,10)11/h8H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-2-hexylcyclopropane?
1,1-difluoro-2-hexylcyclopropane has a molecular weight of 162.22 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-hexylcyclopropane is sourced from PubChem (CID 23235827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).