3-ethylimino-4-fluorohex-4-en-2-one

C8H12FNO — CID 123908334

IUPAC3-ethylimino-4-fluorohex-4-en-2-one
SMILESCC=C(F)/C(=N/CC)C(C)=O
InChIInChI=1S/C8H12FNO/c1-4-7(9)8(6(3)11)10-5-2/h4H,5H2,1-3H3/b7-4?,10-8+
InChIKeyBUPCSCKFNMVUGT-CCKOKUNNSA-N
MW157.19 g/mol
LogP1.91
Rot. Bonds3

About 3-ethylimino-4-fluorohex-4-en-2-one

3-ethylimino-4-fluorohex-4-en-2-one (PubChem CID 123908334) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-ethylimino-4-fluorohex-4-en-2-one.

Molecular Properties

Compound Name3-ethylimino-4-fluorohex-4-en-2-one
PubChem CID123908334
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name3-ethylimino-4-fluorohex-4-en-2-one
SMILESCC=C(F)/C(=N/CC)C(C)=O
InChIInChI=1S/C8H12FNO/c1-4-7(9)8(6(3)11)10-5-2/h4H,5H2,1-3H3/b7-4?,10-8+
InChIKeyBUPCSCKFNMVUGT-CCKOKUNNSA-N
XLogP1.91
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-Fluoro-2,3-dihydropyridin-6-yl)ethanone
CID 70264178
1-(2,3-Dihydropyridin-6-yl)ethanone
CID 121321845
5-Methyl-3-methyliminohex-4-en-2-one
CID 123878016
(Z)-4-ethyliminohept-5-en-2-one
CID 142022148
(Z)-3-methyliminohept-4-en-2-one
CID 143010530
(Z)-3-ethyliminohex-4-en-2-one
CID 143067211
(Z)-3-ethyliminohept-4-en-2-one
CID 143622818
ethane;(Z)-3-methyliminohept-4-en-2-one
CID 145071777
(Z)-3-propyliminohept-4-en-2-one
CID 143311355
(E)-5-methyl-3-methyliminohept-4-en-2-one
CID 144720697

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-4-fluorohex-4-en-2-one?
The IUPAC name of 3-ethylimino-4-fluorohex-4-en-2-one (CID 123908334) is 3-ethylimino-4-fluorohex-4-en-2-one.
What is the SMILES notation for 3-ethylimino-4-fluorohex-4-en-2-one?
The canonical SMILES for 3-ethylimino-4-fluorohex-4-en-2-one is CC=C(F)/C(=N/CC)C(C)=O.
What is the InChIKey of 3-ethylimino-4-fluorohex-4-en-2-one?
The InChIKey is BUPCSCKFNMVUGT-CCKOKUNNSA-N. The full InChI is InChI=1S/C8H12FNO/c1-4-7(9)8(6(3)11)10-5-2/h4H,5H2,1-3H3/b7-4?,10-8+.
What are the key properties of 3-ethylimino-4-fluorohex-4-en-2-one?
3-ethylimino-4-fluorohex-4-en-2-one has a molecular weight of 157.19 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-4-fluorohex-4-en-2-one is sourced from PubChem (CID 123908334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).