N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride

C4H7ClF3N — CID 176890209

IUPACN-ethenyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESC=CNCC(F)(F)F.Cl
InChIInChI=1S/C4H6F3N.ClH/c1-2-8-3-4(5,6)7;/h2,8H,1,3H2;1H
InChIKeyNKLHJHAXSLPEGN-UHFFFAOYSA-N
MW161.55 g/mol
LogP1.70
Rot. Bonds2

About N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride

N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 176890209) has the molecular formula C4H7ClF3N and a molecular weight of 161.55 g/mol. Its IUPAC name is N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound NameN-ethenyl-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID176890209
Molecular FormulaC4H7ClF3N
Molecular Weight161.55 g/mol
Exact Mass161.02
IUPAC NameN-ethenyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESC=CNCC(F)(F)F.Cl
InChIInChI=1S/C4H6F3N.ClH/c1-2-8-3-4(5,6)7;/h2,8H,1,3H2;1H
InChIKeyNKLHJHAXSLPEGN-UHFFFAOYSA-N
XLogP1.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.55
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(fluoromethyl)ethenamine
CID 72652511
N-ethenyl-2,2,2-trifluoroethanamine
CID 131575085
N-(trifluoromethyl)ethenamine
CID 142975971
(E)-N'-(2,2-difluoroethyl)ethene-1,2-diamine
CID 145229980
(E)-2-fluoro-N-[(E)-2-fluoroethenyl]ethenamine
CID 156663393
2-fluoro-N-(2-fluoroethenyl)ethenamine
CID 158118050
4-(difluoromethyl)-1H-pyrazine
CID 173747805
N-ethenyl-1,2,2-trifluoroethanamine
CID 175559672
Azirinium difluoromethanide
CID 129801883
(E)-N-ethenyl-2-fluoroethenamine
CID 142149583
N-ethenyl-2,2,3,3,3-pentafluoropropan-1-amine
CID 143239078
N-ethenyl-2,2-difluoroethanamine
CID 168210604

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride (CID 176890209) is N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride is C=CNCC(F)(F)F.Cl.
What is the InChIKey of N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is NKLHJHAXSLPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N.ClH/c1-2-8-3-4(5,6)7;/h2,8H,1,3H2;1H.
What are the key properties of N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride?
N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 161.55 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 176890209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).