N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine

C4H4F3N — CID 162621100

IUPACN-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
SMILESC=NC(=C)C(F)(F)F
InChIInChI=1S/C4H4F3N/c1-3(8-2)4(5,6)7/h1-2H2
InChIKeyDPURTNPBRXSXET-UHFFFAOYSA-N
MW123.08 g/mol
LogP1.76
Rot. Bonds1

About N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine

N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine (PubChem CID 162621100) has the molecular formula C4H4F3N and a molecular weight of 123.08 g/mol. Its IUPAC name is N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
PubChem CID162621100
Molecular FormulaC4H4F3N
Molecular Weight123.08 g/mol
Exact Mass123.03
IUPAC NameN-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
SMILESC=NC(=C)C(F)(F)F
InChIInChI=1S/C4H4F3N/c1-3(8-2)4(5,6)7/h1-2H2
InChIKeyDPURTNPBRXSXET-UHFFFAOYSA-N
XLogP1.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.08
LogP ≤ 51.76
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

N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
2,2,2-trifluoro-N-methylideneacetamide
CID 23191452
astatane;2,3,3,3-tetrafluoroprop-1-ene
CID 174875947
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
ethane;3,3,3-trifluoroprop-1-en-2-ol
CID 142267098
3,4,4,4-tetrafluoro-2,3-bis(trifluoromethyl)but-1-ene
CID 134361168
3,3,3-trifluoro-2-(fluoromethyl)prop-1-ene
CID 20793151
2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
CID 174047890
2-(trifluoromethyl)prop-2-enal
CID 6328846
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[1,2,2-tris(methylideneamino)ethenyl]methanimine
CID 139820201
formic acid;3,3,3-trifluoro-2-methylprop-1-ene
CID 169187279

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine?
The IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine (CID 162621100) is N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine.
What is the SMILES notation for N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine?
The canonical SMILES for N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine is C=NC(=C)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine?
The InChIKey is DPURTNPBRXSXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3N/c1-3(8-2)4(5,6)7/h1-2H2.
What are the key properties of N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine?
N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine has a molecular weight of 123.08 g/mol, XLogP of 1.76, 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-trifluoroprop-1-en-2-yl)methanimine is sourced from PubChem (CID 162621100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).