N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide

C9H16FNO — CID 123865728

IUPACN-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NC(F)C(C)C
InChIInChI=1S/C9H16FNO/c1-5-7(4)9(12)11-8(10)6(2)3/h5-6,8H,1-4H3,(H,11,12)
InChIKeyMNYFPKALHLVUDN-UHFFFAOYSA-N
MW173.23 g/mol
LogP2.02
Rot. Bonds3

About N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide

N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide (PubChem CID 123865728) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide
PubChem CID123865728
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide
SMILESCC=C(C)C(=O)NC(F)C(C)C
InChIInChI=1S/C9H16FNO/c1-5-7(4)9(12)11-8(10)6(2)3/h5-6,8H,1-4H3,(H,11,12)
InChIKeyMNYFPKALHLVUDN-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-(2-methylpropyl)hexa-2,4-dienamide
CID 13405139
(E)-2-methyl-N-(2-methylpropyl)but-2-enamide
CID 57408889
N-(2-Methylpropyl)hexa-2,4-dienamide
CID 71375318
Methacrylamide, N-isobutyl-
CID 13877722
(E)-2-methyl-N-[4-[3-[[(E)-2-methylbut-2-enoyl]amino]propylamino]butyl]but-2-enamide
CID 11666725
2-methyl-N-[4-[3-(2-methylbut-2-enoylamino)propylamino]butyl]but-2-enamide
CID 73047750
N-(2-methylpropyl)-2-methylbutenamide
CID 76526197
(E)-N-(2-methylpropyl)but-2-enamide
CID 10975585
4-Methyl-1,2-dihydropyrrol-5-one
CID 14784415
Methacrylamide, N-(3-methylbutyl)-
CID 13877721
(E)-N-(2-methylprop-2-enyl)but-2-enamide
CID 114615984
(E)-N-butyl-2-methylbut-2-enamide
CID 14316393

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide?
The IUPAC name of N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide (CID 123865728) is N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide?
The canonical SMILES for N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide is CC=C(C)C(=O)NC(F)C(C)C.
What is the InChIKey of N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide?
The InChIKey is MNYFPKALHLVUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-5-7(4)9(12)11-8(10)6(2)3/h5-6,8H,1-4H3,(H,11,12).
What are the key properties of N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide?
N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide has a molecular weight of 173.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropyl)-2-methylbut-2-enamide is sourced from PubChem (CID 123865728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).