1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine

C7H7F6NO — CID 72560388

IUPAC1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(OC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-14-4(6(8,9)10)3-5(15-2)7(11,12)13/h3H,1-2H3/b5-3?,14-4-
InChIKeyPNVWAMNUYDIBOQ-HZGFNKDHSA-N
MW235.13 g/mol
LogP2.71
Rot. Bonds2

About 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine

1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine (PubChem CID 72560388) has the molecular formula C7H7F6NO and a molecular weight of 235.13 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
PubChem CID72560388
Molecular FormulaC7H7F6NO
Molecular Weight235.13 g/mol
Exact Mass235.04
IUPAC Name1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(OC)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H7F6NO/c1-14-4(6(8,9)10)3-5(15-2)7(11,12)13/h3H,1-2H3/b5-3?,14-4-
InChIKeyPNVWAMNUYDIBOQ-HZGFNKDHSA-N
XLogP2.71
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.13
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 59782164
(Z)-1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 59782224
1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560400
(Z)-1-fluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 88941554
(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 89226253
(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine
CID 166104637
sodium (Z)-1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-olate
CID 100988569
(Z)-1,1,1-trifluoro-N-iodo-4-methoxypent-3-en-2-imine
CID 162563888
(E)-1,1,1-trifluoro-3-methoxy-N-methylhex-3-en-2-imine
CID 166104806

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
The IUPAC name of 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine (CID 72560388) is 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
The canonical SMILES for 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine is C/N=C(/C=C(OC)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
The InChIKey is PNVWAMNUYDIBOQ-HZGFNKDHSA-N. The full InChI is InChI=1S/C7H7F6NO/c1-14-4(6(8,9)10)3-5(15-2)7(11,12)13/h3H,1-2H3/b5-3?,14-4-.
What are the key properties of 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine?
1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine has a molecular weight of 235.13 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 72560388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).