(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)

C12H18F9N3O3 — CID 172954181

IUPAC(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)
SMILESCO/N=C(/C)C(F)(F)F.CO/N=C(/C)C(F)(F)F.CO/N=C(\C)C(F)(F)F
InChIInChI=1S/3C4H6F3NO/c3*1-3(8-9-2)4(5,6)7/h3*1-2H3/b8-3+;2*8-3-
InChIKeyQIWDWMNGBBEIJG-CESJWALISA-N
MW423.28 g/mol
LogP4.71
Rot. Bonds3

About (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)

(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine) (PubChem CID 172954181) has the molecular formula C12H18F9N3O3 and a molecular weight of 423.28 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine).

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)
PubChem CID172954181
Molecular FormulaC12H18F9N3O3
Molecular Weight423.28 g/mol
Exact Mass423.12
IUPAC Name(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)
SMILESCO/N=C(/C)C(F)(F)F.CO/N=C(/C)C(F)(F)F.CO/N=C(\C)C(F)(F)F
InChIInChI=1S/3C4H6F3NO/c3*1-3(8-9-2)4(5,6)7/h3*1-2H3/b8-3+;2*8-3-
InChIKeyQIWDWMNGBBEIJG-CESJWALISA-N
XLogP4.71
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1Z)-2,2,2-trifluoro-N-methoxyethanimidothioate
CID 146619277
2,2,2-trifluoro-N-methoxy-1-[4-[N-methoxy-C-(trifluoromethyl)carbonimidoyl]phenyl]ethanimine
CID 59115160
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496
(2S,3Z)-3-methoxyiminobutan-2-ol
CID 45085121
1,1,1-trifluoro-N-(4-methoxyphenyl)propan-2-imine
CID 14116536
2-N,5-N-dimethoxyhexane-2,5-diimine
CID 13034305
(E)-N-methoxy-2,2-dimethylpentan-3-imine
CID 122659260
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
(NE)-N-[(3E)-3-methoxyiminobutan-2-ylidene]hydroxylamine
CID 135548751
(E)-N-methoxybut-3-en-2-imine
CID 142905738
2-(2-methoxyiminopropyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 71367842
N-methoxy-N-methylmethanamine;N-methoxypropan-2-imine
CID 159889830

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)?
The IUPAC name of (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine) (CID 172954181) is (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine).
What is the SMILES notation for (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)?
The canonical SMILES for (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine) is CO/N=C(/C)C(F)(F)F.CO/N=C(/C)C(F)(F)F.CO/N=C(\C)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)?
The InChIKey is QIWDWMNGBBEIJG-CESJWALISA-N. The full InChI is InChI=1S/3C4H6F3NO/c3*1-3(8-9-2)4(5,6)7/h3*1-2H3/b8-3+;2*8-3-.
What are the key properties of (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine)?
(E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine) has a molecular weight of 423.28 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-N-methoxypropan-2-imine;bis((Z)-1,1,1-trifluoro-N-methoxypropan-2-imine) is sourced from PubChem (CID 172954181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).