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

C6H3F11 — CID 15044579

IUPAC4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane
SMILESFC(F)C(C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11/c7-2(4(10,11)6(15,16)17)1(3(8)9)5(12,13)14/h1-3H
InChIKeyFCJGGCHINXUPCJ-UHFFFAOYSA-N
MW284.07 g/mol
LogP3.97
Rot. Bonds3

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

4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane (PubChem CID 15044579) has the molecular formula C6H3F11 and a molecular weight of 284.07 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane.

Molecular Properties

Compound Name4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane
PubChem CID15044579
Molecular FormulaC6H3F11
Molecular Weight284.07 g/mol
Exact Mass284.01
IUPAC Name4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane
SMILESFC(F)C(C(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11/c7-2(4(10,11)6(15,16)17)1(3(8)9)5(12,13)14/h1-3H
InChIKeyFCJGGCHINXUPCJ-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.07
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The IUPAC name of 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane (CID 15044579) is 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane.
What is the SMILES notation for 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The canonical SMILES for 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane is FC(F)C(C(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
The InChIKey is FCJGGCHINXUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11/c7-2(4(10,11)6(15,16)17)1(3(8)9)5(12,13)14/h1-3H.
What are the key properties of 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane?
4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane has a molecular weight of 284.07 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,1,1,2,2,3,5,5,5-nonafluoropentane is sourced from PubChem (CID 15044579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).