N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide

C10H18FNO — CID 178010246

IUPACN-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
SMILESC/C=C/CNC(=O)C(C)(F)CCC
InChIInChI=1S/C10H18FNO/c1-4-6-8-12-9(13)10(3,11)7-5-2/h4,6H,5,7-8H2,1-3H3,(H,12,13)/b6-4+
InChIKeyBWEBBSHNGMBIMQ-GQCTYLIASA-N
MW187.26 g/mol
LogP2.21
Rot. Bonds5

About N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide

N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide (PubChem CID 178010246) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
PubChem CID178010246
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
SMILESC/C=C/CNC(=O)C(C)(F)CCC
InChIInChI=1S/C10H18FNO/c1-4-6-8-12-9(13)10(3,11)7-5-2/h4,6H,5,7-8H2,1-3H3,(H,12,13)/b6-4+
InChIKeyBWEBBSHNGMBIMQ-GQCTYLIASA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.21
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

Valeramide, N-allyl-2-propyl-
CID 211203
N-(2-methylprop-2-enyl)pentanamide
CID 114618785
5-fluoro-N-prop-2-enylpentanamide
CID 22975877
N-[(2Z,4E)-4,6-difluorohexa-2,4-dienyl]-5-(methylamino)pentanamide
CID 89214760
2-fluoro-3-methyl-N-prop-2-enyl-2-(trifluoromethyl)pentanamide
CID 132064133
2-ethyl-N-(2-fluoro-3-methylbut-2-enyl)pentanamide
CID 145689936
N-(1-fluoroprop-2-enyl)pentanamide
CID 174776839
5,5-difluoro-N-prop-2-enylpentanamide
CID 176815907
N-[(E)-but-2-enyl]-3-fluoro-2,2-dimethylpropanamide
CID 178010842
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
N-[(E)-but-2-enyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 178011551
Hexanamide, N-allyl-
CID 4153372

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide (CID 178010246) is N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide is C/C=C/CNC(=O)C(C)(F)CCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide?
The InChIKey is BWEBBSHNGMBIMQ-GQCTYLIASA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-6-8-12-9(13)10(3,11)7-5-2/h4,6H,5,7-8H2,1-3H3,(H,12,13)/b6-4+.
What are the key properties of N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide?
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide has a molecular weight of 187.26 g/mol, XLogP of 2.21, 5 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-fluoro-2-methylpentanamide is sourced from PubChem (CID 178010246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).