N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine

C6H7F4N — CID 74009391

IUPACN-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine
SMILESCC=NC(F)=C(C)C(F)(F)F
InChIInChI=1S/C6H7F4N/c1-3-11-5(7)4(2)6(8,9)10/h3H,1-2H3
InChIKeyPDFPEVCDWWBZIE-UHFFFAOYSA-N
MW169.12 g/mol
LogP2.84
Rot. Bonds1

About N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine

N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine (PubChem CID 74009391) has the molecular formula C6H7F4N and a molecular weight of 169.12 g/mol. Its IUPAC name is N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine
PubChem CID74009391
Molecular FormulaC6H7F4N
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC NameN-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine
SMILESCC=NC(F)=C(C)C(F)(F)F
InChIInChI=1S/C6H7F4N/c1-3-11-5(7)4(2)6(8,9)10/h3H,1-2H3
InChIKeyPDFPEVCDWWBZIE-UHFFFAOYSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-3,3,3-trifluoro-2-(trifluoromethyl)prop-1-en-1-imine
CID 71366713
(E)-N-[(Z)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]ethanimine
CID 22964142
N-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]ethanimine
CID 54183079
(E)-N-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]ethanimine
CID 59905232
N-(1,2-difluoroprop-1-enyl)ethanimine
CID 123205585
(E)-N-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]ethanimine
CID 140427397
N-(1,1-difluoro-3-methylbut-2-en-2-yl)ethanimine
CID 155347265
(Z)-N-(1-fluoro-2-methylprop-1-enyl)ethanimine
CID 143178399
N-[(Z)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]ethanimine
CID 159634217

Frequently Asked Questions

What is the IUPAC name of N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine?
The IUPAC name of N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine (CID 74009391) is N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine.
What is the SMILES notation for N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine?
The canonical SMILES for N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine is CC=NC(F)=C(C)C(F)(F)F.
What is the InChIKey of N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine?
The InChIKey is PDFPEVCDWWBZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4N/c1-3-11-5(7)4(2)6(8,9)10/h3H,1-2H3.
What are the key properties of N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine?
N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine has a molecular weight of 169.12 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3,3,3-tetrafluoro-2-methylprop-1-enyl)ethanimine is sourced from PubChem (CID 74009391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).