(2S)-1,1,1-trifluoropent-4-en-2-amine

C5H8F3N — CID 55283851

IUPAC(2S)-1,1,1-trifluoropent-4-en-2-amine
SMILESC=CC[C@H](N)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h2,4H,1,3,9H2/t4-/m0/s1
InChIKeyQONXYMBCSLLBKB-BYPYZUCNSA-N
MW139.12 g/mol
LogP1.45
Rot. Bonds2

About (2S)-1,1,1-trifluoropent-4-en-2-amine

(2S)-1,1,1-trifluoropent-4-en-2-amine (PubChem CID 55283851) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoropent-4-en-2-amine.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoropent-4-en-2-amine
PubChem CID55283851
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(2S)-1,1,1-trifluoropent-4-en-2-amine
SMILESC=CC[C@H](N)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h2,4H,1,3,9H2/t4-/m0/s1
InChIKeyQONXYMBCSLLBKB-BYPYZUCNSA-N
XLogP1.45
TPSA26.02 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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoropent-4-en-2-amine?
The IUPAC name of (2S)-1,1,1-trifluoropent-4-en-2-amine (CID 55283851) is (2S)-1,1,1-trifluoropent-4-en-2-amine.
What is the SMILES notation for (2S)-1,1,1-trifluoropent-4-en-2-amine?
The canonical SMILES for (2S)-1,1,1-trifluoropent-4-en-2-amine is C=CC[C@H](N)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1-trifluoropent-4-en-2-amine?
The InChIKey is QONXYMBCSLLBKB-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h2,4H,1,3,9H2/t4-/m0/s1.
What are the key properties of (2S)-1,1,1-trifluoropent-4-en-2-amine?
(2S)-1,1,1-trifluoropent-4-en-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoropent-4-en-2-amine is sourced from PubChem (CID 55283851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).