1,1-difluoro-2-pentylcyclopropane

C8H14F2 — CID 58376415

IUPAC1,1-difluoro-2-pentylcyclopropane
SMILESCCCCCC1CC1(F)F
InChIInChI=1S/C8H14F2/c1-2-3-4-5-7-6-8(7,9)10/h7H,2-6H2,1H3
InChIKeySQWCNNGDDUUAOY-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.22
Rot. Bonds4

About 1,1-difluoro-2-pentylcyclopropane

1,1-difluoro-2-pentylcyclopropane (PubChem CID 58376415) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,1-difluoro-2-pentylcyclopropane.

Molecular Properties

Compound Name1,1-difluoro-2-pentylcyclopropane
PubChem CID58376415
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,1-difluoro-2-pentylcyclopropane
SMILESCCCCCC1CC1(F)F
InChIInChI=1S/C8H14F2/c1-2-3-4-5-7-6-8(7,9)10/h7H,2-6H2,1H3
InChIKeySQWCNNGDDUUAOY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-2-pentylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-pentylcyclopropane?
The IUPAC name of 1,1-difluoro-2-pentylcyclopropane (CID 58376415) is 1,1-difluoro-2-pentylcyclopropane.
What is the SMILES notation for 1,1-difluoro-2-pentylcyclopropane?
The canonical SMILES for 1,1-difluoro-2-pentylcyclopropane is CCCCCC1CC1(F)F.
What is the InChIKey of 1,1-difluoro-2-pentylcyclopropane?
The InChIKey is SQWCNNGDDUUAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-2-3-4-5-7-6-8(7,9)10/h7H,2-6H2,1H3.
What are the key properties of 1,1-difluoro-2-pentylcyclopropane?
1,1-difluoro-2-pentylcyclopropane has a molecular weight of 148.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-pentylcyclopropane is sourced from PubChem (CID 58376415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).