N-(difluoromethyl)-N-methylethenamine

C4H7F2N — CID 162573446

IUPACN-(difluoromethyl)-N-methylethenamine
SMILESC=CN(C)C(F)F
InChIInChI=1S/C4H7F2N/c1-3-7(2)4(5)6/h3-4H,1H2,2H3
InChIKeyJNBNCPGWGCMFBH-UHFFFAOYSA-N
MW107.10 g/mol
LogP1.28
Rot. Bonds2

About N-(difluoromethyl)-N-methylethenamine

N-(difluoromethyl)-N-methylethenamine (PubChem CID 162573446) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is N-(difluoromethyl)-N-methylethenamine.

Molecular Properties

Compound NameN-(difluoromethyl)-N-methylethenamine
PubChem CID162573446
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC NameN-(difluoromethyl)-N-methylethenamine
SMILESC=CN(C)C(F)F
InChIInChI=1S/C4H7F2N/c1-3-7(2)4(5)6/h3-4H,1H2,2H3
InChIKeyJNBNCPGWGCMFBH-UHFFFAOYSA-N
XLogP1.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-ethenyl-N-methylpropan-2-amine
CID 145207975
1-cyclopropyl-N-ethenyl-N-methylethanamine
CID 166145194
N,N-dimethylethenamine;hydron
CID 174680801
[ethenyl(methyl)amino]-[(2-methylpropan-2-yl)oxy]methanol
CID 90291442
N,N-dimethylmethanamine;fluoroform
CID 171924613
N-ethenyl-3-ethoxy-N-methylbutan-2-amine
CID 143938330
(3S)-3-fluoropent-1-ene
CID 122210024
ethane;N-ethenyl-3-fluoro-N-methylbutan-1-amine;methanamine
CID 142562580
(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine
CID 138746536
(2S,3S)-3-N-ethenyl-1-ethoxy-2-N-ethyl-3-N-methylbutane-2,3-diamine
CID 138599680
1-fluoro-N-methyl-N-(methylideneamino)ethanamine
CID 167186063
2-N-ethenyl-2-N,3-dimethylhexane-2,3-diamine
CID 163958435

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-methylethenamine?
The IUPAC name of N-(difluoromethyl)-N-methylethenamine (CID 162573446) is N-(difluoromethyl)-N-methylethenamine.
What is the SMILES notation for N-(difluoromethyl)-N-methylethenamine?
The canonical SMILES for N-(difluoromethyl)-N-methylethenamine is C=CN(C)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-methylethenamine?
The InChIKey is JNBNCPGWGCMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c1-3-7(2)4(5)6/h3-4H,1H2,2H3.
What are the key properties of N-(difluoromethyl)-N-methylethenamine?
N-(difluoromethyl)-N-methylethenamine has a molecular weight of 107.10 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-methylethenamine is sourced from PubChem (CID 162573446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).