3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine

C17H31F2N — CID 178159868

IUPAC3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine
SMILES[H]/N=C(\C)C(=C(C)CC)C(CC)C(F)(F)CCC(C)CC
InChIInChI=1S/C17H31F2N/c1-7-12(4)10-11-17(18,19)15(9-3)16(14(6)20)13(5)8-2/h12,15,20H,7-11H2,1-6H3/b16-13?,20-14+
InChIKeyUIDVUVHRQUHISF-PZKWXNAPSA-N
MW287.44 g/mol
LogP6.24
Rot. Bonds9

About 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine

3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine (PubChem CID 178159868) has the molecular formula C17H31F2N and a molecular weight of 287.44 g/mol. Its IUPAC name is 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine.

Molecular Properties

Compound Name3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine
PubChem CID178159868
Molecular FormulaC17H31F2N
Molecular Weight287.44 g/mol
Exact Mass287.24
IUPAC Name3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine
SMILES[H]/N=C(\C)C(=C(C)CC)C(CC)C(F)(F)CCC(C)CC
InChIInChI=1S/C17H31F2N/c1-7-12(4)10-11-17(18,19)15(9-3)16(14(6)20)13(5)8-2/h12,15,20H,7-11H2,1-6H3/b16-13?,20-14+
InChIKeyUIDVUVHRQUHISF-PZKWXNAPSA-N
XLogP6.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.44
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine with MolForge

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Related Compounds

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CID 91340707
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CID 91463138
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
1-(3,3-Difluoro-2,4-dimethylcyclopenten-1-yl)ethanimine
CID 139425184
1-(3,3-Difluoro-2,4-dimethylcyclopenten-1-yl)-2,2,2-trifluoroethanimine
CID 139425186
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
(E)-6-fluoro-3-(2-methylpropyl)-5-propylnon-6-en-2-imine
CID 163433107
2-Fluoro-1-(3-fluoro-2,4,5-trimethylcyclopenten-1-yl)ethanimine
CID 169992369
2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine
CID 170008157
2-(3,3-Difluorocyclobutyl)-4,5-dimethylhept-4-en-3-imine;ethane
CID 178168484
2-(3,3-Difluorocyclobutyl)-4,5-dimethylhept-4-en-3-imine
CID 178168485
3-Butyl-2-propan-2-ylidenecycloheptan-1-imine
CID 154677131

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine?
The IUPAC name of 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine (CID 178159868) is 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine.
What is the SMILES notation for 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine?
The canonical SMILES for 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine is [H]/N=C(\C)C(=C(C)CC)C(CC)C(F)(F)CCC(C)CC.
What is the InChIKey of 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine?
The InChIKey is UIDVUVHRQUHISF-PZKWXNAPSA-N. The full InChI is InChI=1S/C17H31F2N/c1-7-12(4)10-11-17(18,19)15(9-3)16(14(6)20)13(5)8-2/h12,15,20H,7-11H2,1-6H3/b16-13?,20-14+.
What are the key properties of 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine?
3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine has a molecular weight of 287.44 g/mol, XLogP of 6.24, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylidene-4-ethyl-5,5-difluoro-8-methyldecan-2-imine is sourced from PubChem (CID 178159868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).