N-(2,2,2-trifluoroethyl)but-3-en-1-amine

C6H10F3N — CID 53404757

IUPACN-(2,2,2-trifluoroethyl)but-3-en-1-amine
SMILESC=CCCNCC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-3-4-10-5-6(7,8)9/h2,10H,1,3-5H2
InChIKeyHSTGWKPJONRTFP-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.71
Rot. Bonds4

About N-(2,2,2-trifluoroethyl)but-3-en-1-amine

N-(2,2,2-trifluoroethyl)but-3-en-1-amine (PubChem CID 53404757) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)but-3-en-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)but-3-en-1-amine
PubChem CID53404757
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC NameN-(2,2,2-trifluoroethyl)but-3-en-1-amine
SMILESC=CCCNCC(F)(F)F
InChIInChI=1S/C6H10F3N/c1-2-3-4-10-5-6(7,8)9/h2,10H,1,3-5H2
InChIKeyHSTGWKPJONRTFP-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)but-3-en-1-amine (CID 53404757) is N-(2,2,2-trifluoroethyl)but-3-en-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)but-3-en-1-amine is C=CCCNCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
The InChIKey is HSTGWKPJONRTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-2-3-4-10-5-6(7,8)9/h2,10H,1,3-5H2.
What are the key properties of N-(2,2,2-trifluoroethyl)but-3-en-1-amine?
N-(2,2,2-trifluoroethyl)but-3-en-1-amine has a molecular weight of 153.15 g/mol, XLogP of 1.71, 4 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)but-3-en-1-amine is sourced from PubChem (CID 53404757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).