3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine

C11H18FN — CID 177040906

IUPAC3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine
SMILESC=C(F)/C(C)=N/C(C)=C\C(C)CC
InChIInChI=1S/C11H18FN/c1-6-8(2)7-9(3)13-11(5)10(4)12/h7-8H,4,6H2,1-3,5H3/b9-7-,13-11+
InChIKeyWEDPTUXPYGEAHB-OJNBOFHUSA-N
MW183.27 g/mol
LogP3.88
Rot. Bonds4

About 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine

3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine (PubChem CID 177040906) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine.

Molecular Properties

Compound Name3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine
PubChem CID177040906
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine
SMILESC=C(F)/C(C)=N/C(C)=C\C(C)CC
InChIInChI=1S/C11H18FN/c1-6-8(2)7-9(3)13-11(5)10(4)12/h7-8H,4,6H2,1-3,5H3/b9-7-,13-11+
InChIKeyWEDPTUXPYGEAHB-OJNBOFHUSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine with MolForge

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Launch Full Analysis

Related Compounds

(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
2-Ethyl-5-methyl-8-(1,1,2,2,2-pentafluoroethyl)-4,5-dihydroazocine
CID 123226728
(E)-2-fluoro-4-methyl-N-prop-1-en-2-ylhex-2-en-1-imine
CID 139317360
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
CID 142523799
propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 153342667
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
3-fluoro-5-methyl-2-propan-2-yl-3H-pyrrole
CID 166768598
N-[(Z)-4-methylpent-2-en-3-yl]ethanimidoyl fluoride
CID 169797948
(Z)-6,6-difluoro-3-N,2-dimethyl-5-N-methylidenehex-4-ene-3,5-diimine
CID 169900154
(E)-1,1,1-trifluoro-4-methyl-N-[(E)-pent-2-en-2-yl]hept-3-en-2-imine
CID 172239637
1,1,1-trifluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 172240654
(5Z)-5-fluoro-2,7-dimethyl-N-[(Z)-pent-2-en-2-yl]octa-1,5-dien-4-imine
CID 174292959

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine?
The IUPAC name of 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine (CID 177040906) is 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine.
What is the SMILES notation for 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine?
The canonical SMILES for 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine is C=C(F)/C(C)=N/C(C)=C\C(C)CC.
What is the InChIKey of 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine?
The InChIKey is WEDPTUXPYGEAHB-OJNBOFHUSA-N. The full InChI is InChI=1S/C11H18FN/c1-6-8(2)7-9(3)13-11(5)10(4)12/h7-8H,4,6H2,1-3,5H3/b9-7-,13-11+.
What are the key properties of 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine?
3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine has a molecular weight of 183.27 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(Z)-4-methylhex-2-en-2-yl]but-3-en-2-imine is sourced from PubChem (CID 177040906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).