1,1-difluoro-2-(2-hexyloctyl)cyclopropane

C17H32F2 — CID 130473775

IUPAC1,1-difluoro-2-(2-hexyloctyl)cyclopropane
SMILESCCCCCCC(CCCCCC)CC1CC1(F)F
InChIInChI=1S/C17H32F2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-16-14-17(16,18)19/h15-16H,3-14H2,1-2H3
InChIKeyXYBBBTICRMOMHW-UHFFFAOYSA-N
MW274.44 g/mol
LogP6.59
Rot. Bonds12

About 1,1-difluoro-2-(2-hexyloctyl)cyclopropane

1,1-difluoro-2-(2-hexyloctyl)cyclopropane (PubChem CID 130473775) has the molecular formula C17H32F2 and a molecular weight of 274.44 g/mol. Its IUPAC name is 1,1-difluoro-2-(2-hexyloctyl)cyclopropane.

Molecular Properties

Compound Name1,1-difluoro-2-(2-hexyloctyl)cyclopropane
PubChem CID130473775
Molecular FormulaC17H32F2
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name1,1-difluoro-2-(2-hexyloctyl)cyclopropane
SMILESCCCCCCC(CCCCCC)CC1CC1(F)F
InChIInChI=1S/C17H32F2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-16-14-17(16,18)19/h15-16H,3-14H2,1-2H3
InChIKeyXYBBBTICRMOMHW-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.44
LogP ≤ 56.59
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-(2-hexyloctyl)cyclopropane with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
23-pentyloctatetracontane
CID 90998666
7-pentyltetracosane
CID 91021095
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504
9-hexylicosane
CID 54443478
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
6-pentyldocosane
CID 90762104

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(2-hexyloctyl)cyclopropane?
The IUPAC name of 1,1-difluoro-2-(2-hexyloctyl)cyclopropane (CID 130473775) is 1,1-difluoro-2-(2-hexyloctyl)cyclopropane.
What is the SMILES notation for 1,1-difluoro-2-(2-hexyloctyl)cyclopropane?
The canonical SMILES for 1,1-difluoro-2-(2-hexyloctyl)cyclopropane is CCCCCCC(CCCCCC)CC1CC1(F)F.
What is the InChIKey of 1,1-difluoro-2-(2-hexyloctyl)cyclopropane?
The InChIKey is XYBBBTICRMOMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2/c1-3-5-7-9-11-15(12-10-8-6-4-2)13-16-14-17(16,18)19/h15-16H,3-14H2,1-2H3.
What are the key properties of 1,1-difluoro-2-(2-hexyloctyl)cyclopropane?
1,1-difluoro-2-(2-hexyloctyl)cyclopropane has a molecular weight of 274.44 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(2-hexyloctyl)cyclopropane is sourced from PubChem (CID 130473775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).