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

C7H9F6N — CID 140552329

IUPACN,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=CCN(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H9F6N/c1-2-3-14(4-6(8,9)10)5-7(11,12)13/h2H,1,3-5H2
InChIKeyZYFYXVSCZKOPFB-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.60
Rot. Bonds4

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

N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine (PubChem CID 140552329) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
PubChem CID140552329
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC NameN,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine
SMILESC=CCN(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C7H9F6N/c1-2-3-14(4-6(8,9)10)5-7(11,12)13/h2H,1,3-5H2
InChIKeyZYFYXVSCZKOPFB-UHFFFAOYSA-N
XLogP2.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-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

2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]ethanol
CID 115631860
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260759
N'-ethyl-2,2-difluoro-N'-prop-2-enylpropane-1,3-diamine
CID 165462284
N-(2-fluoroethyl)-N-prop-2-enylprop-2-en-1-amine
CID 130701613
N'-(aminomethyl)-N'-prop-2-enylmethanediamine
CID 170275951
ethane;N-ethyl-N-prop-2-enylprop-2-en-1-amine
CID 143235100
3-[bis(prop-2-enyl)amino]-2,2-dichloropropanal
CID 167227882
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 119303350
(2S)-2-amino-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119303349
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603
CID 87084309
CID 87084309

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The IUPAC name of N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine (CID 140552329) is N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The canonical SMILES for N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine is C=CCN(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine?
The InChIKey is ZYFYXVSCZKOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c1-2-3-14(4-6(8,9)10)5-7(11,12)13/h2H,1,3-5H2.
What are the key properties of N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine?
N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine has a molecular weight of 221.14 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2,2,2-trifluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 140552329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).