2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide

C10H17FN2O — CID 90824802

IUPAC2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide
SMILESC=C1CCC(CNCC(N)=O)C(F)C1
InChIInChI=1S/C10H17FN2O/c1-7-2-3-8(9(11)4-7)5-13-6-10(12)14/h8-9,13H,1-6H2,(H2,12,14)
InChIKeyHMQUFOKDEOWFHM-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.76
Rot. Bonds4

About 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide

2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide (PubChem CID 90824802) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide
PubChem CID90824802
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide
SMILESC=C1CCC(CNCC(N)=O)C(F)C1
InChIInChI=1S/C10H17FN2O/c1-7-2-3-8(9(11)4-7)5-13-6-10(12)14/h8-9,13H,1-6H2,(H2,12,14)
InChIKeyHMQUFOKDEOWFHM-UHFFFAOYSA-N
XLogP0.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Methylidenecyclohexyl)amino]acetamide
CID 58902781
2-[(3,5-Dimethylcyclohex-3-en-1-yl)methylamino]acetamide
CID 103275914

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide?
The IUPAC name of 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide (CID 90824802) is 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide.
What is the SMILES notation for 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide?
The canonical SMILES for 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide is C=C1CCC(CNCC(N)=O)C(F)C1.
What is the InChIKey of 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide?
The InChIKey is HMQUFOKDEOWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-7-2-3-8(9(11)4-7)5-13-6-10(12)14/h8-9,13H,1-6H2,(H2,12,14).
What are the key properties of 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide?
2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide has a molecular weight of 200.26 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-4-methylidenecyclohexyl)methylamino]acetamide is sourced from PubChem (CID 90824802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).