2-(fluoromethyl)-N-methylprop-2-en-1-imine

C5H8FN — CID 139563768

IUPAC2-(fluoromethyl)-N-methylprop-2-en-1-imine
SMILESC=C(/C=N/C)CF
InChIInChI=1S/C5H8FN/c1-5(3-6)4-7-2/h4H,1,3H2,2H3/b7-4+
InChIKeyGDAIACGWUSTYFJ-QPJJXVBHSA-N
MW101.12 g/mol
LogP1.21
Rot. Bonds2

About 2-(fluoromethyl)-N-methylprop-2-en-1-imine

2-(fluoromethyl)-N-methylprop-2-en-1-imine (PubChem CID 139563768) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is 2-(fluoromethyl)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name2-(fluoromethyl)-N-methylprop-2-en-1-imine
PubChem CID139563768
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name2-(fluoromethyl)-N-methylprop-2-en-1-imine
SMILESC=C(/C=N/C)CF
InChIInChI=1S/C5H8FN/c1-5(3-6)4-7-2/h4H,1,3H2,2H3/b7-4+
InChIKeyGDAIACGWUSTYFJ-QPJJXVBHSA-N
XLogP1.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.21
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

2-methyl-N-propylprop-2-en-1-imine
CID 15326646
N-methyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 90766400
2-fluoro-N-methylprop-2-en-1-imine
CID 123271021
3,3-difluoro-N-methyl-2-methylidenebutan-1-imine
CID 123703338
N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 123716011
(E)-N-ethyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124182063
(E)-N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124184066
N-butyl-2-fluoroprop-2-en-1-imine
CID 129171460
(2Z)-N-ethyl-2-(fluoromethylidene)butan-1-imine
CID 134189354
(Z)-3-fluoro-N,2-dimethylprop-2-en-1-imine
CID 134189427
2-fluoro-N,3-dimethylbut-2-en-1-imine
CID 134377611
(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
CID 137446288

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-N-methylprop-2-en-1-imine?
The IUPAC name of 2-(fluoromethyl)-N-methylprop-2-en-1-imine (CID 139563768) is 2-(fluoromethyl)-N-methylprop-2-en-1-imine.
What is the SMILES notation for 2-(fluoromethyl)-N-methylprop-2-en-1-imine?
The canonical SMILES for 2-(fluoromethyl)-N-methylprop-2-en-1-imine is C=C(/C=N/C)CF.
What is the InChIKey of 2-(fluoromethyl)-N-methylprop-2-en-1-imine?
The InChIKey is GDAIACGWUSTYFJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H8FN/c1-5(3-6)4-7-2/h4H,1,3H2,2H3/b7-4+.
What are the key properties of 2-(fluoromethyl)-N-methylprop-2-en-1-imine?
2-(fluoromethyl)-N-methylprop-2-en-1-imine has a molecular weight of 101.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 139563768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).