2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane

C7H7F9 — CID 15044622

IUPAC2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane
SMILESCCC(F)(F)C(F)(F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9/c1-2-5(10,11)6(12,13)3(4(8)9)7(14,15)16/h3-4H,2H2,1H3
InChIKeyQEYIUDXHDPFOOV-UHFFFAOYSA-N
MW262.12 g/mol
LogP4.11
Rot. Bonds4

About 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane

2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane (PubChem CID 15044622) has the molecular formula C7H7F9 and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane
PubChem CID15044622
Molecular FormulaC7H7F9
Molecular Weight262.12 g/mol
Exact Mass262.04
IUPAC Name2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane
SMILESCCC(F)(F)C(F)(F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C7H7F9/c1-2-5(10,11)6(12,13)3(4(8)9)7(14,15)16/h3-4H,2H2,1H3
InChIKeyQEYIUDXHDPFOOV-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 54.11
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 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane (CID 15044622) is 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane is CCC(F)(F)C(F)(F)C(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane?
The InChIKey is QEYIUDXHDPFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9/c1-2-5(10,11)6(12,13)3(4(8)9)7(14,15)16/h3-4H,2H2,1H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane?
2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane has a molecular weight of 262.12 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3,3,4,4-heptafluorohexane is sourced from PubChem (CID 15044622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).