3,4-difluoro-N-methylhex-3-en-2-imine

C7H11F2N — CID 123282924

IUPAC3,4-difluoro-N-methylhex-3-en-2-imine
SMILESCCC(F)=C(F)/C(C)=N/C
InChIInChI=1S/C7H11F2N/c1-4-6(8)7(9)5(2)10-3/h4H2,1-3H3/b7-6?,10-5+
InChIKeyFIUBZBUJTJKBBL-ZKELMAFTSA-N
MW147.17 g/mol
LogP2.64
Rot. Bonds2

About 3,4-difluoro-N-methylhex-3-en-2-imine

3,4-difluoro-N-methylhex-3-en-2-imine (PubChem CID 123282924) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3,4-difluoro-N-methylhex-3-en-2-imine.

Molecular Properties

Compound Name3,4-difluoro-N-methylhex-3-en-2-imine
PubChem CID123282924
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3,4-difluoro-N-methylhex-3-en-2-imine
SMILESCCC(F)=C(F)/C(C)=N/C
InChIInChI=1S/C7H11F2N/c1-4-6(8)7(9)5(2)10-3/h4H2,1-3H3/b7-6?,10-5+
InChIKeyFIUBZBUJTJKBBL-ZKELMAFTSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.64
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

1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
4-fluoro-N,3-dimethylpent-3-en-2-imine
CID 123892315
(Z)-1,1-difluoro-N-methylpent-3-en-2-imine
CID 138552264
(Z)-1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 142439237
(Z)-4-fluoro-N-methylpent-3-en-2-imine
CID 144484430
(E)-4-fluoro-N-methylhex-3-en-2-imine
CID 144488942
(E)-3-fluoro-2-N-methyl-4-N-methylidenepent-3-ene-2,4-diimine
CID 145012030
(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
(E)-3-fluoro-N-[(2R)-1-fluoropropan-2-yl]pent-3-en-2-imine
CID 155297896
2,3,5-Trifluoro-4,6-dimethyl-2,3-dihydropyridine
CID 156046684

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methylhex-3-en-2-imine?
The IUPAC name of 3,4-difluoro-N-methylhex-3-en-2-imine (CID 123282924) is 3,4-difluoro-N-methylhex-3-en-2-imine.
What is the SMILES notation for 3,4-difluoro-N-methylhex-3-en-2-imine?
The canonical SMILES for 3,4-difluoro-N-methylhex-3-en-2-imine is CCC(F)=C(F)/C(C)=N/C.
What is the InChIKey of 3,4-difluoro-N-methylhex-3-en-2-imine?
The InChIKey is FIUBZBUJTJKBBL-ZKELMAFTSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-6(8)7(9)5(2)10-3/h4H2,1-3H3/b7-6?,10-5+.
What are the key properties of 3,4-difluoro-N-methylhex-3-en-2-imine?
3,4-difluoro-N-methylhex-3-en-2-imine has a molecular weight of 147.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methylhex-3-en-2-imine is sourced from PubChem (CID 123282924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).