1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine

C5H5F6N — CID 174357880

IUPAC1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(F)C(F)(F)N(C)C(F)(F)F
InChIInChI=1S/C5H5F6N/c1-3(6)4(7,8)12(2)5(9,10)11/h1H2,2H3
InChIKeyDLMPFXPEQICGNA-UHFFFAOYSA-N
MW193.09 g/mol
LogP2.51
Rot. Bonds2

About 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine

1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 174357880) has the molecular formula C5H5F6N and a molecular weight of 193.09 g/mol. Its IUPAC name is 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
PubChem CID174357880
Molecular FormulaC5H5F6N
Molecular Weight193.09 g/mol
Exact Mass193.03
IUPAC Name1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
SMILESC=C(F)C(F)(F)N(C)C(F)(F)F
InChIInChI=1S/C5H5F6N/c1-3(6)4(7,8)12(2)5(9,10)11/h1H2,2H3
InChIKeyDLMPFXPEQICGNA-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 52.51
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

(Z)-2,3,3,3-tetrafluoro-N,N-dimethylprop-1-en-1-amine
CID 11073673
(Z)-1,3,3,3-tetrafluoro-N,N-dimethylprop-1-en-1-amine
CID 11964066
Trimethyl(1,1,2,3,3-pentafluoroprop-2-enyl)azanium
CID 13041984
N,N-diethyl-1,1,2,3,3-pentafluoroprop-2-en-1-amine
CID 53793193
1,1-difluoro-N,N-dimethylprop-2-en-1-amine
CID 121361161
1,1-difluoro-N-methyl-N,2-bis(trifluoromethyl)prop-2-en-1-amine
CID 129207507
1,1-difluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 129207515
1,1,1,2,3-pentafluoro-N,N-dimethylbut-3-en-2-amine
CID 129207749
(Z)-1,3,3,3-tetrafluoro-N-methyl-N-(trifluoromethyl)prop-1-en-1-amine
CID 129271428
N,1,1,2-tetrafluoro-N-methylprop-2-en-1-amine
CID 146426207
(E)-1,3,3,3-tetrafluoro-N,N-dimethylprop-1-en-1-amine
CID 149463255
1,2-difluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine
CID 155217211

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine (CID 174357880) is 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine is C=C(F)C(F)(F)N(C)C(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is DLMPFXPEQICGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F6N/c1-3(6)4(7,8)12(2)5(9,10)11/h1H2,2H3.
What are the key properties of 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine?
1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 193.09 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-N-methyl-N-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 174357880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).