ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen

C13H26FNO2 — CID 145399723

IUPACethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen
SMILESCC.CC.O=C(NCCCO)C1=C(F)CC=C1.[H][H]
InChIInChI=1S/C9H12FNO2.2C2H6.H2/c10-8-4-1-3-7(8)9(13)11-5-2-6-12;2*1-2;/h1,3,12H,2,4-6H2,(H,11,13);2*1-2H3;1H
InChIKeyGDRCSPSDZPKLJB-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.97
Rot. Bonds4

About ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen

ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen (PubChem CID 145399723) has the molecular formula C13H26FNO2 and a molecular weight of 247.35 g/mol. Its IUPAC name is ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen
PubChem CID145399723
Molecular FormulaC13H26FNO2
Molecular Weight247.35 g/mol
Exact Mass247.19
IUPAC Nameethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen
SMILESCC.CC.O=C(NCCCO)C1=C(F)CC=C1.[H][H]
InChIInChI=1S/C9H12FNO2.2C2H6.H2/c10-8-4-1-3-7(8)9(13)11-5-2-6-12;2*1-2;/h1,3,12H,2,4-6H2,(H,11,13);2*1-2H3;1H
InChIKeyGDRCSPSDZPKLJB-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen?
The IUPAC name of ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen (CID 145399723) is ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen.
What is the SMILES notation for ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen?
The canonical SMILES for ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen is CC.CC.O=C(NCCCO)C1=C(F)CC=C1.[H][H].
What is the InChIKey of ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen?
The InChIKey is GDRCSPSDZPKLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2.2C2H6.H2/c10-8-4-1-3-7(8)9(13)11-5-2-6-12;2*1-2;/h1,3,12H,2,4-6H2,(H,11,13);2*1-2H3;1H.
What are the key properties of ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen?
ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen has a molecular weight of 247.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 145399723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).