2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane

C6H4F10 — CID 15044591

IUPAC2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane
SMILESFC(F)C(C(F)C(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-2(5(12,13)4(10)11)1(3(8)9)6(14,15)16/h1-4H
InChIKeyKMXAXYSOASUDSW-UHFFFAOYSA-N
MW266.08 g/mol
LogP3.67
Rot. Bonds4

About 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane

2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane (PubChem CID 15044591) has the molecular formula C6H4F10 and a molecular weight of 266.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane
PubChem CID15044591
Molecular FormulaC6H4F10
Molecular Weight266.08 g/mol
Exact Mass266.02
IUPAC Name2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane
SMILESFC(F)C(C(F)C(F)(F)C(F)F)C(F)(F)F
InChIInChI=1S/C6H4F10/c7-2(5(12,13)4(10)11)1(3(8)9)6(14,15)16/h1-4H
InChIKeyKMXAXYSOASUDSW-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane 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 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane (CID 15044591) is 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane is FC(F)C(C(F)C(F)(F)C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane?
The InChIKey is KMXAXYSOASUDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10/c7-2(5(12,13)4(10)11)1(3(8)9)6(14,15)16/h1-4H.
What are the key properties of 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane?
2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane has a molecular weight of 266.08 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3,4,4,5,5-octafluoropentane is sourced from PubChem (CID 15044591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).