(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine

C9H16FN — CID 142523799

IUPAC(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
SMILESCC/C=C(F)\C(=N\C)C(C)C
InChIInChI=1S/C9H16FN/c1-5-6-8(10)9(11-4)7(2)3/h6-7H,5H2,1-4H3/b8-6+,11-9+
InChIKeyDFMFPUCUXCWKLP-ZOIFJEAISA-N
MW157.23 g/mol
LogP2.98
Rot. Bonds3

About (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine

(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine (PubChem CID 142523799) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine.

Molecular Properties

Compound Name(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
PubChem CID142523799
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine
SMILESCC/C=C(F)\C(=N\C)C(C)C
InChIInChI=1S/C9H16FN/c1-5-6-8(10)9(11-4)7(2)3/h6-7H,5H2,1-4H3/b8-6+,11-9+
InChIKeyDFMFPUCUXCWKLP-ZOIFJEAISA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.98
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

6-Ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
CID 91228283
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
(E)-3-(2-fluoropropan-2-yl)-N-methylpent-3-en-2-imine
CID 123828931
(E)-N-(2-fluoro-2-methylpropyl)-3-methylpent-3-en-2-imine
CID 123979160
(E)-3-fluoro-N-(2-methylbutyl)pent-3-en-2-imine
CID 137538512
(Z)-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 143810300
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
6-ethyl-3,5-difluoro-3-methyl-2H-pyridine
CID 165398323
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
CID 167146607
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929

Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine?
The IUPAC name of (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine (CID 142523799) is (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine.
What is the SMILES notation for (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine?
The canonical SMILES for (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine is CC/C=C(F)\C(=N\C)C(C)C.
What is the InChIKey of (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine?
The InChIKey is DFMFPUCUXCWKLP-ZOIFJEAISA-N. The full InChI is InChI=1S/C9H16FN/c1-5-6-8(10)9(11-4)7(2)3/h6-7H,5H2,1-4H3/b8-6+,11-9+.
What are the key properties of (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine?
(E)-4-fluoro-N,2-dimethylhept-4-en-3-imine has a molecular weight of 157.23 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-N,2-dimethylhept-4-en-3-imine is sourced from PubChem (CID 142523799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).