(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide

C8H14FNO — CID 178099606

IUPAC(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide
SMILESCC/C(F)=C\C(=O)N(C)CC
InChIInChI=1S/C8H14FNO/c1-4-7(9)6-8(11)10(3)5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKeyKTHDLYYBUHLIAG-VOTSOKGWSA-N
MW159.20 g/mol
LogP1.73
Rot. Bonds3

About (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide

(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide (PubChem CID 178099606) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide
PubChem CID178099606
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide
SMILESCC/C(F)=C\C(=O)N(C)CC
InChIInChI=1S/C8H14FNO/c1-4-7(9)6-8(11)10(3)5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKeyKTHDLYYBUHLIAG-VOTSOKGWSA-N
XLogP1.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5E)-N-ethyl-6-fluoro-N,3-dimethylocta-3,5-dien-4-amine
CID 174287104
3-(diethylamino)-N-ethyl-N-methylprop-2-enamide
CID 174919518
(Z)-N-ethyl-N-methylbut-2-enamide
CID 90437080
(E)-N-ethyl-N-methylbut-2-enamide
CID 88882032
4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
CID 123403461
(Z)-N,2-diethyl-N-methylbut-2-enamide
CID 172631579
methyl 2-[methyl-[(E)-3-(trifluoromethyl)pent-2-enoyl]amino]acetate
CID 162574276
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
1-ethyl-1-methylurea
CID 3032104
N-ethyl-N-methylcarbamoyl bromide
CID 54570671
butan-2-one;bis(N,N-dimethylethanamine);N-ethyl-N-methylacetamide
CID 159983542

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide?
The IUPAC name of (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide (CID 178099606) is (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide is CC/C(F)=C\C(=O)N(C)CC.
What is the InChIKey of (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide?
The InChIKey is KTHDLYYBUHLIAG-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-7(9)6-8(11)10(3)5-2/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide?
(E)-N-ethyl-3-fluoro-N-methylpent-2-enamide has a molecular weight of 159.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-fluoro-N-methylpent-2-enamide is sourced from PubChem (CID 178099606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).