N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide

C12H11F3N2O3 — CID 3147009

IUPACN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccco1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)10(18)7-3-1-4-8(7)16-17-11(19)9-5-2-6-20-9/h2,5-6,16H,1,3-4H2,(H,17,19)
InChIKeyCGWADPJURJXSQO-UHFFFAOYSA-N
MW288.22 g/mol
LogP2.08
Rot. Bonds4

About N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide

N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide (PubChem CID 3147009) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.22 g/mol. Its IUPAC name is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
PubChem CID3147009
Molecular FormulaC12H11F3N2O3
Molecular Weight288.22 g/mol
Exact Mass288.07
IUPAC NameN'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide
SMILESO=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccco1
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)10(18)7-3-1-4-8(7)16-17-11(19)9-5-2-6-20-9/h2,5-6,16H,1,3-4H2,(H,17,19)
InChIKeyCGWADPJURJXSQO-UHFFFAOYSA-N
XLogP2.08
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]pyridine-3-carbohydrazide
CID 2858266
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998
N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494
(furan-2-carbonylamino) 2,2,2-trifluoroacetate
CID 141040971
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)furan-2-carboxamide
CID 21204899
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
N-chlorofuran-2-carboxamide
CID 18537247
N'-[(E)-5,5,6,6,6-pentafluoro-4-oxohex-2-en-2-yl]furan-2-carbohydrazide
CID 6386891
N'-(2-oxo-2-piperidin-1-ylacetyl)furan-2-carbohydrazide
CID 2263224

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide (CID 3147009) is N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide is O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1ccco1.
What is the InChIKey of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
The InChIKey is CGWADPJURJXSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)10(18)7-3-1-4-8(7)16-17-11(19)9-5-2-6-20-9/h2,5-6,16H,1,3-4H2,(H,17,19).
What are the key properties of N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide?
N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide has a molecular weight of 288.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,2,2-trifluoroacetyl)cyclopenten-1-yl]furan-2-carbohydrazide is sourced from PubChem (CID 3147009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).