1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine

C7H10F3NO — CID 72560400

IUPAC1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(\C=C(C)OC)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(12-3)4-6(11-2)7(8,9)10/h4H,1-3H3/b5-4?,11-6+
InChIKeyDAPQTNJBHDPHLB-TXTWTNGRSA-N
MW181.16 g/mol
LogP2.17
Rot. Bonds2

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

1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine (PubChem CID 72560400) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
PubChem CID72560400
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine
SMILESC/N=C(\C=C(C)OC)C(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-5(12-3)4-6(11-2)7(8,9)10/h4H,1-3H3/b5-4?,11-6+
InChIKeyDAPQTNJBHDPHLB-TXTWTNGRSA-N
XLogP2.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 52.17
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
(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
(3E)-1,1-difluoro-4-methoxy-N-methylhexa-3,5-dien-2-imine
CID 142928979
(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
(E)-4-methoxy-N-methylpent-3-en-2-imine
CID 53982430
4,6-dimethyl-2H-1,3-oxazine
CID 59189020
(Z)-4-methoxy-N-methylpent-3-en-2-imine
CID 59782201

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine (CID 72560400) is 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine is C/N=C(\C=C(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine?
The InChIKey is DAPQTNJBHDPHLB-TXTWTNGRSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5(12-3)4-6(11-2)7(8,9)10/h4H,1-3H3/b5-4?,11-6+.
What are the key properties of 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine?
1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine has a molecular weight of 181.16 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-N-methylpent-3-en-2-imine is sourced from PubChem (CID 72560400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).