3,3-difluoroheptane

C7H14F2 — CID 15062438

IUPAC3,3-difluoroheptane
SMILESCCCCC(F)(F)CC
InChIInChI=1S/C7H14F2/c1-3-5-6-7(8,9)4-2/h3-6H2,1-2H3
InChIKeyWXRKEDNSIKIZOD-UHFFFAOYSA-N
MW136.19 g/mol
LogP3.22
Rot. Bonds4

About 3,3-difluoroheptane

3,3-difluoroheptane (PubChem CID 15062438) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 3,3-difluoroheptane.

Molecular Properties

Compound Name3,3-difluoroheptane
PubChem CID15062438
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name3,3-difluoroheptane
SMILESCCCCC(F)(F)CC
InChIInChI=1S/C7H14F2/c1-3-5-6-7(8,9)4-2/h3-6H2,1-2H3
InChIKeyWXRKEDNSIKIZOD-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroheptane?
The IUPAC name of 3,3-difluoroheptane (CID 15062438) is 3,3-difluoroheptane.
What is the SMILES notation for 3,3-difluoroheptane?
The canonical SMILES for 3,3-difluoroheptane is CCCCC(F)(F)CC.
What is the InChIKey of 3,3-difluoroheptane?
The InChIKey is WXRKEDNSIKIZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-3-5-6-7(8,9)4-2/h3-6H2,1-2H3.
What are the key properties of 3,3-difluoroheptane?
3,3-difluoroheptane has a molecular weight of 136.19 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroheptane is sourced from PubChem (CID 15062438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).