N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide

C10H13F2NO — CID 178011639

IUPACN-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide
SMILESC/C=C/CNC(=O)C1C(F)(F)C12CC2
InChIInChI=1S/C10H13F2NO/c1-2-3-6-13-8(14)7-9(4-5-9)10(7,11)12/h2-3,7H,4-6H2,1H3,(H,13,14)/b3-2+
InChIKeyIHGWZMTVVBEXDY-NSCUHMNNSA-N
MW201.22 g/mol
LogP1.72
Rot. Bonds3

About N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide

N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide (PubChem CID 178011639) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide
PubChem CID178011639
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC NameN-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide
SMILESC/C=C/CNC(=O)C1C(F)(F)C12CC2
InChIInChI=1S/C10H13F2NO/c1-2-3-6-13-8(14)7-9(4-5-9)10(7,11)12/h2-3,7H,4-6H2,1H3,(H,13,14)/b3-2+
InChIKeyIHGWZMTVVBEXDY-NSCUHMNNSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-2-methyl-N-[(1-prop-2-enylcyclopropyl)methyl]hexanamide
CID 68217130
N-ethyl-2,2-difluorospiro[2.2]pentane-1-carboxamide
CID 164556090
N-[(E)-but-2-enyl]-6,6-difluorospiro[2.5]octane-2-carboxamide
CID 178011082
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide
CID 178011027
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide
CID 178010260
N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide
CID 178010275
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide;molecular hydrogen
CID 178010860
N-[(E)-4-aminobut-2-enyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 104461487

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide (CID 178011639) is N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide is C/C=C/CNC(=O)C1C(F)(F)C12CC2.
What is the InChIKey of N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide?
The InChIKey is IHGWZMTVVBEXDY-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-3-6-13-8(14)7-9(4-5-9)10(7,11)12/h2-3,7H,4-6H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide?
N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide has a molecular weight of 201.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide is sourced from PubChem (CID 178011639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).