(E)-4,4,4-trifluorobut-2-en-1-amine

C4H6F3N — CID 23396446

IUPAC(E)-4,4,4-trifluorobut-2-en-1-amine
SMILESNC/C=C/C(F)(F)F
InChIInChI=1S/C4H6F3N/c5-4(6,7)2-1-3-8/h1-2H,3,8H2/b2-1+
InChIKeyWFAUQMZULNZMGK-OWOJBTEDSA-N
MW125.09 g/mol
LogP1.06
Rot. Bonds1

About (E)-4,4,4-trifluorobut-2-en-1-amine

(E)-4,4,4-trifluorobut-2-en-1-amine (PubChem CID 23396446) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is (E)-4,4,4-trifluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluorobut-2-en-1-amine
PubChem CID23396446
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name(E)-4,4,4-trifluorobut-2-en-1-amine
SMILESNC/C=C/C(F)(F)F
InChIInChI=1S/C4H6F3N/c5-4(6,7)2-1-3-8/h1-2H,3,8H2/b2-1+
InChIKeyWFAUQMZULNZMGK-OWOJBTEDSA-N
XLogP1.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(e)-3-Fluoroallylamine
CID 19800330
Fluoro-2-propen-1-amine
CID 21915321
4,4-Difluorobut-2-en-1-amine hydrochloride
CID 165889893
3,3-Difluoroprop-2-en-1-amine
CID 21111689
(Z)-3,4-difluorobut-2-en-1-amine
CID 21966549
4-Fluorobut-2-en-1-amine
CID 21966587
(Z)-2,4-difluorobut-2-en-1-amine
CID 21966689
3-Fluoroprop-2-en-1-amine
CID 53778057
4,4,4-Trifluoro-2-buten-1-amine
CID 57003428
3,4,4-Trifluorobut-2-en-1-amine
CID 57321209
4,4,4-Trifluorobut-2-en-1-amine;hydrochloride
CID 87954639
1,3,3-Trifluoroprop-2-en-1-amine
CID 88192710

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluorobut-2-en-1-amine?
The IUPAC name of (E)-4,4,4-trifluorobut-2-en-1-amine (CID 23396446) is (E)-4,4,4-trifluorobut-2-en-1-amine.
What is the SMILES notation for (E)-4,4,4-trifluorobut-2-en-1-amine?
The canonical SMILES for (E)-4,4,4-trifluorobut-2-en-1-amine is NC/C=C/C(F)(F)F.
What is the InChIKey of (E)-4,4,4-trifluorobut-2-en-1-amine?
The InChIKey is WFAUQMZULNZMGK-OWOJBTEDSA-N. The full InChI is InChI=1S/C4H6F3N/c5-4(6,7)2-1-3-8/h1-2H,3,8H2/b2-1+.
What are the key properties of (E)-4,4,4-trifluorobut-2-en-1-amine?
(E)-4,4,4-trifluorobut-2-en-1-amine has a molecular weight of 125.09 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluorobut-2-en-1-amine is sourced from PubChem (CID 23396446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).