2-(3-fluoroazepan-1-yl)-N-methylacetamide

C9H17FN2O — CID 130684518

IUPAC2-(3-fluoroazepan-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCCCC(F)C1
InChIInChI=1S/C9H17FN2O/c1-11-9(13)7-12-5-3-2-4-8(10)6-12/h8H,2-7H2,1H3,(H,11,13)
InChIKeyVEWKILFISPBAGU-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.56
Rot. Bonds2

About 2-(3-fluoroazepan-1-yl)-N-methylacetamide

2-(3-fluoroazepan-1-yl)-N-methylacetamide (PubChem CID 130684518) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 2-(3-fluoroazepan-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-fluoroazepan-1-yl)-N-methylacetamide
PubChem CID130684518
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name2-(3-fluoroazepan-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCCCC(F)C1
InChIInChI=1S/C9H17FN2O/c1-11-9(13)7-12-5-3-2-4-8(10)6-12/h8H,2-7H2,1H3,(H,11,13)
InChIKeyVEWKILFISPBAGU-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazepan-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3-fluoroazepan-1-yl)-N-methylacetamide (CID 130684518) is 2-(3-fluoroazepan-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3-fluoroazepan-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3-fluoroazepan-1-yl)-N-methylacetamide is CNC(=O)CN1CCCCC(F)C1.
What is the InChIKey of 2-(3-fluoroazepan-1-yl)-N-methylacetamide?
The InChIKey is VEWKILFISPBAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-11-9(13)7-12-5-3-2-4-8(10)6-12/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-(3-fluoroazepan-1-yl)-N-methylacetamide?
2-(3-fluoroazepan-1-yl)-N-methylacetamide has a molecular weight of 188.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazepan-1-yl)-N-methylacetamide is sourced from PubChem (CID 130684518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).