2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide

C11H14F2N2O2 — CID 144516742

IUPAC2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide
SMILESC=C(F)C(=O)N[C@H]1CCC[C@H]1NC(=O)C(=C)F
InChIInChI=1S/C11H14F2N2O2/c1-6(12)10(16)14-8-4-3-5-9(8)15-11(17)7(2)13/h8-9H,1-5H2,(H,14,16)(H,15,17)/t8-,9+
InChIKeyOEAFSVFLUSPVKJ-DTORHVGOSA-N
MW244.24 g/mol
LogP1.11
Rot. Bonds4

About 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide

2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide (PubChem CID 144516742) has the molecular formula C11H14F2N2O2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide
PubChem CID144516742
Molecular FormulaC11H14F2N2O2
Molecular Weight244.24 g/mol
Exact Mass244.10
IUPAC Name2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide
SMILESC=C(F)C(=O)N[C@H]1CCC[C@H]1NC(=O)C(=C)F
InChIInChI=1S/C11H14F2N2O2/c1-6(12)10(16)14-8-4-3-5-9(8)15-11(17)7(2)13/h8-9H,1-5H2,(H,14,16)(H,15,17)/t8-,9+
InChIKeyOEAFSVFLUSPVKJ-DTORHVGOSA-N
XLogP1.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide (CID 144516742) is 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide is C=C(F)C(=O)N[C@H]1CCC[C@H]1NC(=O)C(=C)F.
What is the InChIKey of 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide?
The InChIKey is OEAFSVFLUSPVKJ-DTORHVGOSA-N. The full InChI is InChI=1S/C11H14F2N2O2/c1-6(12)10(16)14-8-4-3-5-9(8)15-11(17)7(2)13/h8-9H,1-5H2,(H,14,16)(H,15,17)/t8-,9+.
What are the key properties of 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide?
2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide has a molecular weight of 244.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1S,2R)-2-(2-fluoroprop-2-enoylamino)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 144516742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).