3-fluoroazepan-4-one

C6H10FNO — CID 71379832

IUPAC3-fluoroazepan-4-one
SMILESO=C1CCCNCC1F
InChIInChI=1S/C6H10FNO/c7-5-4-8-3-1-2-6(5)9/h5,8H,1-4H2
InChIKeyLFBODVGGZGUBCL-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.28
Rot. Bonds

About 3-fluoroazepan-4-one

3-fluoroazepan-4-one (PubChem CID 71379832) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-fluoroazepan-4-one.

Molecular Properties

Compound Name3-fluoroazepan-4-one
PubChem CID71379832
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name3-fluoroazepan-4-one
SMILESO=C1CCCNCC1F
InChIInChI=1S/C6H10FNO/c7-5-4-8-3-1-2-6(5)9/h5,8H,1-4H2
InChIKeyLFBODVGGZGUBCL-UHFFFAOYSA-N
XLogP0.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoroazepan-4-one?
The IUPAC name of 3-fluoroazepan-4-one (CID 71379832) is 3-fluoroazepan-4-one.
What is the SMILES notation for 3-fluoroazepan-4-one?
The canonical SMILES for 3-fluoroazepan-4-one is O=C1CCCNCC1F.
What is the InChIKey of 3-fluoroazepan-4-one?
The InChIKey is LFBODVGGZGUBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-5-4-8-3-1-2-6(5)9/h5,8H,1-4H2.
What are the key properties of 3-fluoroazepan-4-one?
3-fluoroazepan-4-one has a molecular weight of 131.15 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoroazepan-4-one is sourced from PubChem (CID 71379832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).