1,1,1,2,2,3,3,4,4-nonafluoroheptane

C7H7F9 — CID 19091137

IUPAC1,1,1,2,2,3,3,4,4-nonafluoroheptane
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKeyMDZDBKLCYXUTQA-UHFFFAOYSA-N
MW262.11 g/mol
LogP4.25
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4-nonafluoroheptane

1,1,1,2,2,3,3,4,4-nonafluoroheptane (PubChem CID 19091137) has the molecular formula C7H7F9 and a molecular weight of 262.11 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoroheptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoroheptane
PubChem CID19091137
Molecular FormulaC7H7F9
Molecular Weight262.11 g/mol
Exact Mass262.04
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoroheptane
SMILESCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H7F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3
InChIKeyMDZDBKLCYXUTQA-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 54.25
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 1,1,1,2,2,3,3,4,4-nonafluoroheptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoroheptane (CID 19091137) is 1,1,1,2,2,3,3,4,4-nonafluoroheptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoroheptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoroheptane is CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4-nonafluoroheptane?
The InChIKey is MDZDBKLCYXUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9/c1-2-3-4(8,9)5(10,11)6(12,13)7(14,15)16/h2-3H2,1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoroheptane?
1,1,1,2,2,3,3,4,4-nonafluoroheptane has a molecular weight of 262.11 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4-nonafluoroheptane is sourced from PubChem (CID 19091137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).