(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine

C7H10FN — CID 145298088

IUPAC(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C(F)\C(C)=N\C
InChIInChI=1S/C7H10FN/c1-4-5-7(8)6(2)9-3/h4-5H,1H2,2-3H3/b7-5+,9-6+
InChIKeySBUJCNOLXLRNJS-PDTNFJSOSA-N
MW127.16 g/mol
LogP2.12
Rot. Bonds2

About (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine

(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine (PubChem CID 145298088) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine
PubChem CID145298088
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine
SMILESC=C/C=C(F)\C(C)=N\C
InChIInChI=1S/C7H10FN/c1-4-5-7(8)6(2)9-3/h4-5H,1H2,2-3H3/b7-5+,9-6+
InChIKeySBUJCNOLXLRNJS-PDTNFJSOSA-N
XLogP2.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(3Z)-3-[(2Z)-4-fluoropenta-2,4-dienylidene]-6-methyl-2H-pyridine
CID 90145839
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
(3Z)-5-fluorohexa-3,5-dien-2-imine
CID 91396866
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(Z)-6-fluoro-N-methylhex-4-en-3-imine
CID 123508641
1,1,1-trifluoro-N-methylpent-3-en-2-imine
CID 123560506
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830

Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine?
The IUPAC name of (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine (CID 145298088) is (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine?
The canonical SMILES for (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine is C=C/C=C(F)\C(C)=N\C.
What is the InChIKey of (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine?
The InChIKey is SBUJCNOLXLRNJS-PDTNFJSOSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-5-7(8)6(2)9-3/h4-5H,1H2,2-3H3/b7-5+,9-6+.
What are the key properties of (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine?
(3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine has a molecular weight of 127.16 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-N-methylhexa-3,5-dien-2-imine is sourced from PubChem (CID 145298088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).