(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine

C8H12F3NO — CID 166104637

IUPAC(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine
SMILESC/C=C(OC)\C(=N/CC)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-4-6(13-3)7(12-5-2)8(9,10)11/h4H,5H2,1-3H3/b6-4+,12-7+
InChIKeyPRPOSABLDHKORD-SQXULCKUSA-N
MW195.18 g/mol
LogP2.56
Rot. Bonds3

About (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine

(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine (PubChem CID 166104637) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine.

Molecular Properties

Compound Name(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine
PubChem CID166104637
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Name(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine
SMILESC/C=C(OC)\C(=N/CC)C(F)(F)F
InChIInChI=1S/C8H12F3NO/c1-4-6(13-3)7(12-5-2)8(9,10)11/h4H,5H2,1-3H3/b6-4+,12-7+
InChIKeyPRPOSABLDHKORD-SQXULCKUSA-N
XLogP2.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 52.56
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
1,1,1,5,5,5-hexafluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560388
1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 72560400
(Z)-1,5-difluoro-4-methoxy-N-methylpent-3-en-2-imine
CID 89226253
(E)-1,1,1-trifluoro-3-methoxy-N-methylhex-3-en-2-imine
CID 166104806

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine?
The IUPAC name of (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine (CID 166104637) is (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine.
What is the SMILES notation for (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine?
The canonical SMILES for (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine is C/C=C(OC)\C(=N/CC)C(F)(F)F.
What is the InChIKey of (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine?
The InChIKey is PRPOSABLDHKORD-SQXULCKUSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-4-6(13-3)7(12-5-2)8(9,10)11/h4H,5H2,1-3H3/b6-4+,12-7+.
What are the key properties of (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine?
(E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine has a molecular weight of 195.18 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-1,1,1-trifluoro-3-methoxypent-3-en-2-imine is sourced from PubChem (CID 166104637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).