(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine

C10H16F3NO — CID 172987289

IUPAC(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine
SMILESC=C/C(CC(F)(F)F)=N/OCC(C)(C)C
InChIInChI=1S/C10H16F3NO/c1-5-8(6-10(11,12)13)14-15-7-9(2,3)4/h5H,1,6-7H2,2-4H3/b14-8-
InChIKeyHATFFXZGLAVUOZ-ZSOIEALJSA-N
MW223.24 g/mol
LogP3.54
Rot. Bonds4

About (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine

(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine (PubChem CID 172987289) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine.

Molecular Properties

Compound Name(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine
PubChem CID172987289
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine
SMILESC=C/C(CC(F)(F)F)=N/OCC(C)(C)C
InChIInChI=1S/C10H16F3NO/c1-5-8(6-10(11,12)13)14-15-7-9(2,3)4/h5H,1,6-7H2,2-4H3/b14-8-
InChIKeyHATFFXZGLAVUOZ-ZSOIEALJSA-N
XLogP3.54
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2Z)-2-(2,2-difluoropropoxyimino)but-3-enyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 143079590
N-ethenyl-5,5,5-trifluoropent-1-en-3-imine
CID 146740408
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
CID 143770359
5,5,5-trifluoropent-1-en-3-one
CID 12622108
2,2-dimethyl-1-(2-methylprop-1-enoxy)propane
CID 22234825
(1E)-2-methyl-1-(2,2,2-trifluoroethoxy)buta-1,3-dien-1-amine
CID 138703095
(3,3,3-trifluoro-2-hydroxy-2-methylpropyl) prop-2-enoate
CID 58173753
(E)-N-(2,2,2-trifluoroethoxy)ethanimine
CID 130340574
(2,2-dimethyl-3-prop-2-enoyloxypropyl) prop-2-enoate;2-methylprop-2-enyl prop-2-enoate;tetrafluoromethane
CID 54085907
(Z)-8,8,8-trifluoro-3-methyl-6-methylideneoct-2-ene
CID 156532361
2,2-dimethylpropyl prop-2-enoate;2-methylprop-2-enoic acid
CID 158445873
2,2,2-trifluoroethyl N-[(E)-2,3,3-trimethylbut-1-enyl]methanimidate
CID 142399899

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine?
The IUPAC name of (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine (CID 172987289) is (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine.
What is the SMILES notation for (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine?
The canonical SMILES for (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine is C=C/C(CC(F)(F)F)=N/OCC(C)(C)C.
What is the InChIKey of (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine?
The InChIKey is HATFFXZGLAVUOZ-ZSOIEALJSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-5-8(6-10(11,12)13)14-15-7-9(2,3)4/h5H,1,6-7H2,2-4H3/b14-8-.
What are the key properties of (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine?
(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine has a molecular weight of 223.24 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine is sourced from PubChem (CID 172987289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).