2-fluoro-N,5-dimethylhex-4-en-3-imine

C8H14FN — CID 172586095

IUPAC2-fluoro-N,5-dimethylhex-4-en-3-imine
SMILESC/N=C(\C=C(C)C)C(C)F
InChIInChI=1S/C8H14FN/c1-6(2)5-8(10-4)7(3)9/h5,7H,1-4H3/b10-8+
InChIKeyRHULLVKRWPIZPQ-CSKARUKUSA-N
MW143.20 g/mol
LogP2.38
Rot. Bonds2

About 2-fluoro-N,5-dimethylhex-4-en-3-imine

2-fluoro-N,5-dimethylhex-4-en-3-imine (PubChem CID 172586095) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 2-fluoro-N,5-dimethylhex-4-en-3-imine.

Molecular Properties

Compound Name2-fluoro-N,5-dimethylhex-4-en-3-imine
PubChem CID172586095
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name2-fluoro-N,5-dimethylhex-4-en-3-imine
SMILESC/N=C(\C=C(C)C)C(C)F
InChIInChI=1S/C8H14FN/c1-6(2)5-8(10-4)7(3)9/h5,7H,1-4H3/b10-8+
InChIKeyRHULLVKRWPIZPQ-CSKARUKUSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.38
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

(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
(E)-N-ethyl-5-fluoro-4-methylhex-4-en-3-imine
CID 89104249
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
6-Ethyl-5-fluoro-3-methyl-2,3-dihydropyridine
CID 91228283
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
6-chloro-7-fluoro-N,2-dimethyl-3-methylideneocta-1,5-dien-4-imine
CID 123435714
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,5-dimethylhex-4-en-3-imine?
The IUPAC name of 2-fluoro-N,5-dimethylhex-4-en-3-imine (CID 172586095) is 2-fluoro-N,5-dimethylhex-4-en-3-imine.
What is the SMILES notation for 2-fluoro-N,5-dimethylhex-4-en-3-imine?
The canonical SMILES for 2-fluoro-N,5-dimethylhex-4-en-3-imine is C/N=C(\C=C(C)C)C(C)F.
What is the InChIKey of 2-fluoro-N,5-dimethylhex-4-en-3-imine?
The InChIKey is RHULLVKRWPIZPQ-CSKARUKUSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)5-8(10-4)7(3)9/h5,7H,1-4H3/b10-8+.
What are the key properties of 2-fluoro-N,5-dimethylhex-4-en-3-imine?
2-fluoro-N,5-dimethylhex-4-en-3-imine has a molecular weight of 143.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,5-dimethylhex-4-en-3-imine is sourced from PubChem (CID 172586095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).