(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide

C10H18FNO — CID 144981997

IUPAC(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide
SMILESCCCC(C)NC(=O)/C(C)=C(/C)F
InChIInChI=1S/C10H18FNO/c1-5-6-7(2)12-10(13)8(3)9(4)11/h7H,5-6H2,1-4H3,(H,12,13)/b9-8-
InChIKeyYGFOUZSVSZVPSA-HJWRWDBZSA-N
MW187.26 g/mol
LogP2.55
Rot. Bonds4

About (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide

(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide (PubChem CID 144981997) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide
PubChem CID144981997
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide
SMILESCCCC(C)NC(=O)/C(C)=C(/C)F
InChIInChI=1S/C10H18FNO/c1-5-6-7(2)12-10(13)8(3)9(4)11/h7H,5-6H2,1-4H3,(H,12,13)/b9-8-
InChIKeyYGFOUZSVSZVPSA-HJWRWDBZSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide?
The IUPAC name of (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide (CID 144981997) is (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide.
What is the SMILES notation for (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide?
The canonical SMILES for (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide is CCCC(C)NC(=O)/C(C)=C(/C)F.
What is the InChIKey of (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide?
The InChIKey is YGFOUZSVSZVPSA-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18FNO/c1-5-6-7(2)12-10(13)8(3)9(4)11/h7H,5-6H2,1-4H3,(H,12,13)/b9-8-.
What are the key properties of (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide?
(Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide has a molecular weight of 187.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-2-methyl-N-pentan-2-ylbut-2-enamide is sourced from PubChem (CID 144981997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).