2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide

C9H14FNO2 — CID 130831866

IUPAC2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(F)=C1CCCC1
InChIInChI=1S/C9H14FNO2/c10-8(7-3-1-2-4-7)9(13)11-5-6-12/h12H,1-6H2,(H,11,13)
InChIKeyBUMXAPWNPSSUCI-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.89
Rot. Bonds3

About 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide

2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide (PubChem CID 130831866) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide
PubChem CID130831866
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide
SMILESO=C(NCCO)C(F)=C1CCCC1
InChIInChI=1S/C9H14FNO2/c10-8(7-3-1-2-4-7)9(13)11-5-6-12/h12H,1-6H2,(H,11,13)
InChIKeyBUMXAPWNPSSUCI-UHFFFAOYSA-N
XLogP0.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide (CID 130831866) is 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide is O=C(NCCO)C(F)=C1CCCC1.
What is the InChIKey of 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide?
The InChIKey is BUMXAPWNPSSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-8(7-3-1-2-4-7)9(13)11-5-6-12/h12H,1-6H2,(H,11,13).
What are the key properties of 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide?
2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide has a molecular weight of 187.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylidene-2-fluoro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 130831866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).