(1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine

C8H13F2NO — CID 177207373

IUPAC(1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine
SMILESCC(C)/C=C\C=C(/N)OC(F)F
InChIInChI=1S/C8H13F2NO/c1-6(2)4-3-5-7(11)12-8(9)10/h3-6,8H,11H2,1-2H3/b4-3-,7-5+
InChIKeyMNGIXCGTFHDYIE-QVXLNCAUSA-N
MW177.19 g/mol
LogP2.24
Rot. Bonds4

About (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine

(1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine (PubChem CID 177207373) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine
PubChem CID177207373
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name(1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine
SMILESCC(C)/C=C\C=C(/N)OC(F)F
InChIInChI=1S/C8H13F2NO/c1-6(2)4-3-5-7(11)12-8(9)10/h3-6,8H,11H2,1-2H3/b4-3-,7-5+
InChIKeyMNGIXCGTFHDYIE-QVXLNCAUSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
CID 58515107
(2Z,4E)-2,6-dimethylhepta-2,4-dienamide
CID 129311525
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
2,6-dimethylhepta-2,4-dienal
CID 171535580
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
3,5-difluoro-2,7-dimethylocta-3,5-diene;3-fluoro-2,7-dimethylocta-3,5-diene;methane
CID 159617675
(2E,4Z)-3-(difluoromethoxy)-4,6-dimethylhepta-2,4-diene
CID 134430544
(1E,3Z)-5-methylhexa-1,3-dien-1-amine
CID 163516351

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine (CID 177207373) is (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine is CC(C)/C=C\C=C(/N)OC(F)F.
What is the InChIKey of (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine?
The InChIKey is MNGIXCGTFHDYIE-QVXLNCAUSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-6(2)4-3-5-7(11)12-8(9)10/h3-6,8H,11H2,1-2H3/b4-3-,7-5+.
What are the key properties of (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine?
(1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine has a molecular weight of 177.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(difluoromethoxy)-5-methylhexa-1,3-dien-1-amine is sourced from PubChem (CID 177207373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).