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

C8H14FNO — CID 89092817

IUPAC(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
SMILESC/C(F)=C(\C)C(=O)NC(C)C
InChIInChI=1S/C8H14FNO/c1-5(2)10-8(11)6(3)7(4)9/h5H,1-4H3,(H,10,11)/b7-6-
InChIKeyFZPAFHQJPCXIQP-SREVYHEPSA-N
MW159.20 g/mol
LogP1.77
Rot. Bonds2

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

(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide (PubChem CID 89092817) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
PubChem CID89092817
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide
SMILESC/C(F)=C(\C)C(=O)NC(C)C
InChIInChI=1S/C8H14FNO/c1-5(2)10-8(11)6(3)7(4)9/h5H,1-4H3,(H,10,11)/b7-6-
InChIKeyFZPAFHQJPCXIQP-SREVYHEPSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.77
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-propan-2-ylbut-2-enamide?
The IUPAC name of (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide (CID 89092817) is (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide is C/C(F)=C(\C)C(=O)NC(C)C.
What is the InChIKey of (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide?
The InChIKey is FZPAFHQJPCXIQP-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14FNO/c1-5(2)10-8(11)6(3)7(4)9/h5H,1-4H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide?
(Z)-3-fluoro-2-methyl-N-propan-2-ylbut-2-enamide has a molecular weight of 159.20 g/mol, XLogP of 1.77, 2 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-propan-2-ylbut-2-enamide is sourced from PubChem (CID 89092817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).