(3S)-5,5,5-trifluoropent-1-en-3-amine

C5H8F3N — CID 130038577

IUPAC(3S)-5,5,5-trifluoropent-1-en-3-amine
SMILESC=C[C@@H](N)CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-4(9)3-5(6,7)8/h2,4H,1,3,9H2/t4-/m1/s1
InChIKeyAUKJUEVCUYYQTO-SCSAIBSYSA-N
MW139.12 g/mol
LogP1.45
Rot. Bonds2

About (3S)-5,5,5-trifluoropent-1-en-3-amine

(3S)-5,5,5-trifluoropent-1-en-3-amine (PubChem CID 130038577) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is (3S)-5,5,5-trifluoropent-1-en-3-amine.

Molecular Properties

Compound Name(3S)-5,5,5-trifluoropent-1-en-3-amine
PubChem CID130038577
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name(3S)-5,5,5-trifluoropent-1-en-3-amine
SMILESC=C[C@@H](N)CC(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-4(9)3-5(6,7)8/h2,4H,1,3,9H2/t4-/m1/s1
InChIKeyAUKJUEVCUYYQTO-SCSAIBSYSA-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 (3S)-5,5,5-trifluoropent-1-en-3-amine?
The IUPAC name of (3S)-5,5,5-trifluoropent-1-en-3-amine (CID 130038577) is (3S)-5,5,5-trifluoropent-1-en-3-amine.
What is the SMILES notation for (3S)-5,5,5-trifluoropent-1-en-3-amine?
The canonical SMILES for (3S)-5,5,5-trifluoropent-1-en-3-amine is C=C[C@@H](N)CC(F)(F)F.
What is the InChIKey of (3S)-5,5,5-trifluoropent-1-en-3-amine?
The InChIKey is AUKJUEVCUYYQTO-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-4(9)3-5(6,7)8/h2,4H,1,3,9H2/t4-/m1/s1.
What are the key properties of (3S)-5,5,5-trifluoropent-1-en-3-amine?
(3S)-5,5,5-trifluoropent-1-en-3-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 (3S)-5,5,5-trifluoropent-1-en-3-amine is sourced from PubChem (CID 130038577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).