4,4-difluoroazepane

C6H11F2N — CID 53393482

IUPAC4,4-difluoroazepane
SMILESFC1(F)CCCNCC1
InChIInChI=1S/C6H11F2N/c7-6(8)2-1-4-9-5-3-6/h9H,1-5H2
InChIKeyJGHLRHACKQVDPU-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.40
Rot. Bonds

About 4,4-difluoroazepane

4,4-difluoroazepane (PubChem CID 53393482) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 4,4-difluoroazepane.

Molecular Properties

Compound Name4,4-difluoroazepane
PubChem CID53393482
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name4,4-difluoroazepane
SMILESFC1(F)CCCNCC1
InChIInChI=1S/C6H11F2N/c7-6(8)2-1-4-9-5-3-6/h9H,1-5H2
InChIKeyJGHLRHACKQVDPU-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoroazepane?
The IUPAC name of 4,4-difluoroazepane (CID 53393482) is 4,4-difluoroazepane.
What is the SMILES notation for 4,4-difluoroazepane?
The canonical SMILES for 4,4-difluoroazepane is FC1(F)CCCNCC1.
What is the InChIKey of 4,4-difluoroazepane?
The InChIKey is JGHLRHACKQVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c7-6(8)2-1-4-9-5-3-6/h9H,1-5H2.
What are the key properties of 4,4-difluoroazepane?
4,4-difluoroazepane has a molecular weight of 135.16 g/mol, XLogP of 1.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoroazepane is sourced from PubChem (CID 53393482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).