N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine

C4H5F4N — CID 130376714

IUPACN-fluoro-N-(trifluoromethyl)prop-2-en-1-amine
SMILESC=CCN(F)C(F)(F)F
InChIInChI=1S/C4H5F4N/c1-2-3-9(8)4(5,6)7/h2H,1,3H2
InChIKeyIWJZLGNZJPNXQG-UHFFFAOYSA-N
MW143.08 g/mol
LogP1.88
Rot. Bonds2

About N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine

N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine (PubChem CID 130376714) has the molecular formula C4H5F4N and a molecular weight of 143.08 g/mol. Its IUPAC name is N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-fluoro-N-(trifluoromethyl)prop-2-en-1-amine
PubChem CID130376714
Molecular FormulaC4H5F4N
Molecular Weight143.08 g/mol
Exact Mass143.04
IUPAC NameN-fluoro-N-(trifluoromethyl)prop-2-en-1-amine
SMILESC=CCN(F)C(F)(F)F
InChIInChI=1S/C4H5F4N/c1-2-3-9(8)4(5,6)7/h2H,1,3H2
InChIKeyIWJZLGNZJPNXQG-UHFFFAOYSA-N
XLogP1.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.08
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-fluoro-N-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine?
The IUPAC name of N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine (CID 130376714) is N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine.
What is the SMILES notation for N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine?
The canonical SMILES for N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine is C=CCN(F)C(F)(F)F.
What is the InChIKey of N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine?
The InChIKey is IWJZLGNZJPNXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4N/c1-2-3-9(8)4(5,6)7/h2H,1,3H2.
What are the key properties of N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine?
N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine has a molecular weight of 143.08 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(trifluoromethyl)prop-2-en-1-amine is sourced from PubChem (CID 130376714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).