3-fluoroazepane

C6H12FN — CID 47003592

IUPAC3-fluoroazepane
SMILESFC1CCCCNC1
InChIInChI=1S/C6H12FN/c7-6-3-1-2-4-8-5-6/h6,8H,1-5H2
InChIKeyKXEWKVSEVOAHDZ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds

About 3-fluoroazepane

3-fluoroazepane (PubChem CID 47003592) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 3-fluoroazepane.

Molecular Properties

Compound Name3-fluoroazepane
PubChem CID47003592
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name3-fluoroazepane
SMILESFC1CCCCNC1
InChIInChI=1S/C6H12FN/c7-6-3-1-2-4-8-5-6/h6,8H,1-5H2
InChIKeyKXEWKVSEVOAHDZ-UHFFFAOYSA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroazepane?
The IUPAC name of 3-fluoroazepane (CID 47003592) is 3-fluoroazepane.
What is the SMILES notation for 3-fluoroazepane?
The canonical SMILES for 3-fluoroazepane is FC1CCCCNC1.
What is the InChIKey of 3-fluoroazepane?
The InChIKey is KXEWKVSEVOAHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c7-6-3-1-2-4-8-5-6/h6,8H,1-5H2.
What are the key properties of 3-fluoroazepane?
3-fluoroazepane has a molecular weight of 117.17 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroazepane is sourced from PubChem (CID 47003592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).