N-cyclopropyl-2-fluoro-3-methylbut-2-enamide

C8H12FNO — CID 130700366

IUPACN-cyclopropyl-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)NC1CC1
InChIInChI=1S/C8H12FNO/c1-5(2)7(9)8(11)10-6-3-4-6/h6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLNDFAJFMUHCJHG-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.53
Rot. Bonds2

About N-cyclopropyl-2-fluoro-3-methylbut-2-enamide

N-cyclopropyl-2-fluoro-3-methylbut-2-enamide (PubChem CID 130700366) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-cyclopropyl-2-fluoro-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-cyclopropyl-2-fluoro-3-methylbut-2-enamide
PubChem CID130700366
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-cyclopropyl-2-fluoro-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)NC1CC1
InChIInChI=1S/C8H12FNO/c1-5(2)7(9)8(11)10-6-3-4-6/h6H,3-4H2,1-2H3,(H,10,11)
InChIKeyLNDFAJFMUHCJHG-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-ethyl-3-fluoro-2-methylbut-2-enamide
CID 88409024
(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
CID 89092817
(E)-N-cyclopropyl-4,4,4-trifluoro-3-methylbut-2-enamide
CID 89976294
(Z)-3-fluoro-2-methyl-N-propylbut-2-enamide
CID 117883121
N-cyclopropyl-4,4,4-trifluoro-3-methylbut-2-enamide
CID 123900241
(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide
CID 144981997
(E)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
CID 168082244
N-ethyl-3-fluoro-2-methylbut-2-enamide
CID 174789966
N-(2,2-dimethylcyclopropyl)-2-fluoro-3-methylbut-2-enamide
CID 126994060
N-butan-2-yl-2-fluoro-3-methylbut-2-enamide
CID 126995576
N-(3-fluoropropyl)-3-methylbut-2-enamide
CID 130163203
N-(2-aminocyclopropyl)-2-fluoro-3-methylbut-2-enamide
CID 130616957

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-fluoro-3-methylbut-2-enamide?
The IUPAC name of N-cyclopropyl-2-fluoro-3-methylbut-2-enamide (CID 130700366) is N-cyclopropyl-2-fluoro-3-methylbut-2-enamide.
What is the SMILES notation for N-cyclopropyl-2-fluoro-3-methylbut-2-enamide?
The canonical SMILES for N-cyclopropyl-2-fluoro-3-methylbut-2-enamide is CC(C)=C(F)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-fluoro-3-methylbut-2-enamide?
The InChIKey is LNDFAJFMUHCJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-5(2)7(9)8(11)10-6-3-4-6/h6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-cyclopropyl-2-fluoro-3-methylbut-2-enamide?
N-cyclopropyl-2-fluoro-3-methylbut-2-enamide has a molecular weight of 157.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-fluoro-3-methylbut-2-enamide is sourced from PubChem (CID 130700366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).