(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine

C8H14FN — CID 134189409

IUPAC(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine
SMILESCC/N=C/C(CC)=C(/C)F
InChIInChI=1S/C8H14FN/c1-4-8(7(3)9)6-10-5-2/h6H,4-5H2,1-3H3/b8-7-,10-6+
InChIKeyHUSCVBOPWZNMKR-SDHBEMGISA-N
MW143.20 g/mol
LogP2.73
Rot. Bonds3

About (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine

(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine (PubChem CID 134189409) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine
PubChem CID134189409
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine
SMILESCC/N=C/C(CC)=C(/C)F
InChIInChI=1S/C8H14FN/c1-4-8(7(3)9)6-10-5-2/h6H,4-5H2,1-3H3/b8-7-,10-6+
InChIKeyHUSCVBOPWZNMKR-SDHBEMGISA-N
XLogP2.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-5-methyl-2,3-dihydropyridine
CID 68083425
(2E)-3-ethenyl-2-ethylidene-3-fluoro-N-methylpent-4-en-1-imine
CID 129196407
(E)-N-ethyl-4,4,4-trifluoro-3-methyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 134466405
(E)-4,4-difluoro-N,3-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 134466495
(E)-4,4,4-trifluoro-N,3-dimethyl-2-prop-1-en-2-ylbut-2-en-1-imine
CID 134466502
(E)-N-ethyl-4-fluoro-2-(trifluoromethyl)pent-2-en-1-imine
CID 137467801
(E)-N-methyl-2-(trifluoromethyl)hex-2-en-1-imine
CID 142438396
(E)-2-fluoro-N,3-dimethylpent-2-en-1-imine
CID 143420584
(E)-3-fluoro-N,2-dimethylpent-2-en-1-imine
CID 144172140
(3E,5E)-3,5-difluoro-N-methyl-2-methylidenehepta-3,5-dien-1-imine
CID 155306408
(E)-2-fluoro-N,3,4-trimethylpent-2-en-1-imine
CID 163527626
5-Ethyl-2-fluoro-2,3-dihydropyridine
CID 169872706

Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine?
The IUPAC name of (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine (CID 134189409) is (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine.
What is the SMILES notation for (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine?
The canonical SMILES for (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine is CC/N=C/C(CC)=C(/C)F.
What is the InChIKey of (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine?
The InChIKey is HUSCVBOPWZNMKR-SDHBEMGISA-N. The full InChI is InChI=1S/C8H14FN/c1-4-8(7(3)9)6-10-5-2/h6H,4-5H2,1-3H3/b8-7-,10-6+.
What are the key properties of (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine?
(Z)-N,2-diethyl-3-fluorobut-2-en-1-imine has a molecular weight of 143.20 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-diethyl-3-fluorobut-2-en-1-imine is sourced from PubChem (CID 134189409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).