4-fluoro-N,3-dimethylpent-3-en-2-imine

C7H12FN — CID 123892315

IUPAC4-fluoro-N,3-dimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)F
InChIInChI=1S/C7H12FN/c1-5(6(2)8)7(3)9-4/h1-4H3/b6-5?,9-7+
InChIKeyBNKPBRLDDGZZBN-VFEDGGCQSA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds1

About 4-fluoro-N,3-dimethylpent-3-en-2-imine

4-fluoro-N,3-dimethylpent-3-en-2-imine (PubChem CID 123892315) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name4-fluoro-N,3-dimethylpent-3-en-2-imine
PubChem CID123892315
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name4-fluoro-N,3-dimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(C)=C(C)F
InChIInChI=1S/C7H12FN/c1-5(6(2)8)7(3)9-4/h1-4H3/b6-5?,9-7+
InChIKeyBNKPBRLDDGZZBN-VFEDGGCQSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.34
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

(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
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
3,4-difluoro-N-methylhex-3-en-2-imine
CID 123282924
(E)-N-methyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 145431803
(E)-5,5,5-trifluoro-N,3,4-trimethylpent-3-en-2-imine
CID 145644306
3-fluoro-N,4-dimethylpent-3-en-2-imine
CID 155041528
2,3,5-Trifluoro-4,6-dimethyl-2,3-dihydropyridine
CID 156046684
5-Fluoro-4,6-dimethyl-2,3-dihydropyridine
CID 167170079
(E)-3-fluoro-N-methylhex-3-en-2-imine
CID 169235858
(E)-1,1,1-trifluoro-N,3,4-trimethylhex-3-en-2-imine
CID 143873906
N,4-dimethyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 153254458

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethylpent-3-en-2-imine?
The IUPAC name of 4-fluoro-N,3-dimethylpent-3-en-2-imine (CID 123892315) is 4-fluoro-N,3-dimethylpent-3-en-2-imine.
What is the SMILES notation for 4-fluoro-N,3-dimethylpent-3-en-2-imine?
The canonical SMILES for 4-fluoro-N,3-dimethylpent-3-en-2-imine is C/N=C(\C)C(C)=C(C)F.
What is the InChIKey of 4-fluoro-N,3-dimethylpent-3-en-2-imine?
The InChIKey is BNKPBRLDDGZZBN-VFEDGGCQSA-N. The full InChI is InChI=1S/C7H12FN/c1-5(6(2)8)7(3)9-4/h1-4H3/b6-5?,9-7+.
What are the key properties of 4-fluoro-N,3-dimethylpent-3-en-2-imine?
4-fluoro-N,3-dimethylpent-3-en-2-imine has a molecular weight of 129.18 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethylpent-3-en-2-imine is sourced from PubChem (CID 123892315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).