N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine

C5H3F6N — CID 22964143

IUPACN-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine
SMILESC=NC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N/c1-12-2-3(4(6,7)8)5(9,10)11/h2H,1H2
InChIKeyKTBWPYQHOVMNDQ-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.70
Rot. Bonds1

About N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine

N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine (PubChem CID 22964143) has the molecular formula C5H3F6N and a molecular weight of 191.07 g/mol. Its IUPAC name is N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine.

Molecular Properties

Compound NameN-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine
PubChem CID22964143
Molecular FormulaC5H3F6N
Molecular Weight191.07 g/mol
Exact Mass191.02
IUPAC NameN-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine
SMILESC=NC=C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H3F6N/c1-12-2-3(4(6,7)8)5(9,10)11/h2H,1H2
InChIKeyKTBWPYQHOVMNDQ-UHFFFAOYSA-N
XLogP2.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methylidyne-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]azanium
CID 22964140
N-[1,3,3,3-tetrafluoro-2-(trifluoromethyl)prop-1-enyl]methanimine
CID 53640170
N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]methanimine
CID 134257495

Frequently Asked Questions

What is the IUPAC name of N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine?
The IUPAC name of N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine (CID 22964143) is N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine.
What is the SMILES notation for N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine?
The canonical SMILES for N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine is C=NC=C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine?
The InChIKey is KTBWPYQHOVMNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F6N/c1-12-2-3(4(6,7)8)5(9,10)11/h2H,1H2.
What are the key properties of N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine?
N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine has a molecular weight of 191.07 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]methanimine is sourced from PubChem (CID 22964143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).