3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine

C14H24FN — CID 91340707

IUPAC3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
SMILES[H]/N=C(\C)C(=CC)CC(C(=C)C)C(C)(F)CC
InChIInChI=1S/C14H24FN/c1-7-12(11(5)16)9-13(10(3)4)14(6,15)8-2/h7,13,16H,3,8-9H2,1-2,4-6H3/b12-7?,16-11+
InChIKeyYJTLROKUOMKVTH-VSLBCYJVSA-N
MW225.35 g/mol
LogP4.69
Rot. Bonds6

About 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine

3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine (PubChem CID 91340707) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine.

Molecular Properties

Compound Name3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
PubChem CID91340707
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC Name3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine
SMILES[H]/N=C(\C)C(=CC)CC(C(=C)C)C(C)(F)CC
InChIInChI=1S/C14H24FN/c1-7-12(11(5)16)9-13(10(3)4)14(6,15)8-2/h7,13,16H,3,8-9H2,1-2,4-6H3/b12-7?,16-11+
InChIKeyYJTLROKUOMKVTH-VSLBCYJVSA-N
XLogP4.69
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.35
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-Ethenyl-2,4-difluoro-5,12-dimethyl-3-(trifluoromethyl)tetradeca-2,4,7-trien-6-imine
CID 91463138
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
(E)-12,12-difluoro-2,7-dimethyl-9-propa-1,2-dienyl-9-propan-2-yltridec-6-en-4-imine
CID 123491631
9-Fluoro-5,7-dimethyldodeca-7,9-dien-4-imine
CID 123799788
9-Fluoro-4,5-dimethyl-8-methylideneundeca-5,9-dien-3-imine
CID 123891038
3-Fluoro-4-(4-methylcyclohexyl)cyclohex-2-en-1-imine
CID 123916073
(3R)-5-ethenyl-2-fluoro-3-methyl-7-methylidenenon-8-en-4-imine
CID 139423709
(E)-1,1,1-trifluoro-6-methyl-4-propylhept-3-en-2-imine
CID 143346611
(6Z)-10-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)undeca-1,6-dien-5-imine
CID 153399956
(10S)-10-fluoro-2-methyl-5-methylideneundecane-3,6-diimine
CID 155158155
10-Fluoro-2-methyl-4-methylideneundecane-3,6-diimine
CID 155158434
(4Z)-11,11-difluoro-2,12-dimethyltrideca-4,12-dien-3-imine
CID 156235984

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine?
The IUPAC name of 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine (CID 91340707) is 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine.
What is the SMILES notation for 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine?
The canonical SMILES for 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine is [H]/N=C(\C)C(=CC)CC(C(=C)C)C(C)(F)CC.
What is the InChIKey of 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine?
The InChIKey is YJTLROKUOMKVTH-VSLBCYJVSA-N. The full InChI is InChI=1S/C14H24FN/c1-7-12(11(5)16)9-13(10(3)4)14(6,15)8-2/h7,13,16H,3,8-9H2,1-2,4-6H3/b12-7?,16-11+.
What are the key properties of 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine?
3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine has a molecular weight of 225.35 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-6-fluoro-6-methyl-5-prop-1-en-2-yloctan-2-imine is sourced from PubChem (CID 91340707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).