1,1,1,3,3,5,5-heptafluoroheptane

C7H9F7 — CID 87414420

IUPAC1,1,1,3,3,5,5-heptafluoroheptane
SMILESCCC(F)(F)CC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H9F7/c1-2-5(8,9)3-6(10,11)4-7(12,13)14/h2-4H2,1H3
InChIKeyFGKRIRUEJXCAMD-UHFFFAOYSA-N
MW226.13 g/mol
LogP4.01
Rot. Bonds4

About 1,1,1,3,3,5,5-heptafluoroheptane

1,1,1,3,3,5,5-heptafluoroheptane (PubChem CID 87414420) has the molecular formula C7H9F7 and a molecular weight of 226.13 g/mol. Its IUPAC name is 1,1,1,3,3,5,5-heptafluoroheptane.

Molecular Properties

Compound Name1,1,1,3,3,5,5-heptafluoroheptane
PubChem CID87414420
Molecular FormulaC7H9F7
Molecular Weight226.13 g/mol
Exact Mass226.06
IUPAC Name1,1,1,3,3,5,5-heptafluoroheptane
SMILESCCC(F)(F)CC(F)(F)CC(F)(F)F
InChIInChI=1S/C7H9F7/c1-2-5(8,9)3-6(10,11)4-7(12,13)14/h2-4H2,1H3
InChIKeyFGKRIRUEJXCAMD-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,5,5-heptafluoroheptane?
The IUPAC name of 1,1,1,3,3,5,5-heptafluoroheptane (CID 87414420) is 1,1,1,3,3,5,5-heptafluoroheptane.
What is the SMILES notation for 1,1,1,3,3,5,5-heptafluoroheptane?
The canonical SMILES for 1,1,1,3,3,5,5-heptafluoroheptane is CCC(F)(F)CC(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,1,3,3,5,5-heptafluoroheptane?
The InChIKey is FGKRIRUEJXCAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7/c1-2-5(8,9)3-6(10,11)4-7(12,13)14/h2-4H2,1H3.
What are the key properties of 1,1,1,3,3,5,5-heptafluoroheptane?
1,1,1,3,3,5,5-heptafluoroheptane has a molecular weight of 226.13 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,5,5-heptafluoroheptane is sourced from PubChem (CID 87414420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).