(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine

C9H15F2N — CID 123999875

IUPAC(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
SMILESC/C=C(C(\C)=N\CC)/C(C)(F)F
InChIInChI=1S/C9H15F2N/c1-5-8(9(4,10)11)7(3)12-6-2/h5H,6H2,1-4H3/b8-5+,12-7+
InChIKeyRNQYGXWNZOMLDR-WAMUHJNZSA-N
MW175.22 g/mol
LogP3.07
Rot. Bonds3

About (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine

(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine (PubChem CID 123999875) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
PubChem CID123999875
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine
SMILESC/C=C(C(\C)=N\CC)/C(C)(F)F
InChIInChI=1S/C9H15F2N/c1-5-8(9(4,10)11)7(3)12-6-2/h5H,6H2,1-4H3/b8-5+,12-7+
InChIKeyRNQYGXWNZOMLDR-WAMUHJNZSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 53.07
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

4-Ethyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 70307572
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(E)-N,3-diethyl-4-fluoropent-3-en-2-imine
CID 89207606
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
4-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 123506679
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine?
The IUPAC name of (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine (CID 123999875) is (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine.
What is the SMILES notation for (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine?
The canonical SMILES for (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine is C/C=C(C(\C)=N\CC)/C(C)(F)F.
What is the InChIKey of (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine?
The InChIKey is RNQYGXWNZOMLDR-WAMUHJNZSA-N. The full InChI is InChI=1S/C9H15F2N/c1-5-8(9(4,10)11)7(3)12-6-2/h5H,6H2,1-4H3/b8-5+,12-7+.
What are the key properties of (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine?
(E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine has a molecular weight of 175.22 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1,1-difluoroethyl)-N-ethylpent-3-en-2-imine is sourced from PubChem (CID 123999875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).