N-(2,2,2-trifluoroethyl)prop-1-en-2-amine

C5H8F3N — CID 134356739

IUPACN-(2,2,2-trifluoroethyl)prop-1-en-2-amine
SMILESC=C(C)NCC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(2)9-3-5(6,7)8/h9H,1,3H2,2H3
InChIKeyHTUTYKCGPICJTD-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.67
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)prop-1-en-2-amine

N-(2,2,2-trifluoroethyl)prop-1-en-2-amine (PubChem CID 134356739) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)prop-1-en-2-amine
PubChem CID134356739
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC NameN-(2,2,2-trifluoroethyl)prop-1-en-2-amine
SMILESC=C(C)NCC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-4(2)9-3-5(6,7)8/h9H,1,3H2,2H3
InChIKeyHTUTYKCGPICJTD-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2,2-trifluoroethyl)prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethylprop-1-en-2-amine
CID 11170914
1-N-(2,2-difluoroethyl)prop-2-ene-1,2-diamine
CID 88529859
3-fluoro-N-propylbut-1-en-2-amine
CID 88874456
N-(2,2-difluoroethyl)pent-1-en-2-amine
CID 88914820
(Z)-3,3,3-trifluoro-1-N,2-N-dimethylprop-1-ene-1,2-diamine
CID 129158230
3,3,3-trifluoro-N-methylprop-1-en-2-amine
CID 129272081
1,1,2,2-tetrafluoro-N'-prop-1-en-2-yl-N,N-bis(trifluoromethyl)propane-1,3-diamine
CID 130277887
3,3,3-trifluoro-N-propan-2-ylprop-1-en-2-amine
CID 131598533
3,3-difluoro-N-propan-2-ylbut-1-en-2-amine
CID 131998087
(Z)-2-fluoro-N-prop-1-en-2-ylprop-1-en-1-amine
CID 131999490
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-amine
CID 137506754
N-(3-fluoroprop-1-en-2-yl)-2-methylpropan-1-amine
CID 139429986

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)prop-1-en-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)prop-1-en-2-amine (CID 134356739) is N-(2,2,2-trifluoroethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)prop-1-en-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)prop-1-en-2-amine is C=C(C)NCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)prop-1-en-2-amine?
The InChIKey is HTUTYKCGPICJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-4(2)9-3-5(6,7)8/h9H,1,3H2,2H3.
What are the key properties of N-(2,2,2-trifluoroethyl)prop-1-en-2-amine?
N-(2,2,2-trifluoroethyl)prop-1-en-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)prop-1-en-2-amine is sourced from PubChem (CID 134356739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).