4,4,5,5,5-pentafluoropent-2-en-3-amine

C5H6F5N — CID 158427895

IUPAC4,4,5,5,5-pentafluoropent-2-en-3-amine
SMILESCC=C(N)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5N/c1-2-3(11)4(6,7)5(8,9)10/h2H,11H2,1H3
InChIKeyHBHAKVQTNSEPEC-UHFFFAOYSA-N
MW175.10 g/mol
LogP2.05
Rot. Bonds1

About 4,4,5,5,5-pentafluoropent-2-en-3-amine

4,4,5,5,5-pentafluoropent-2-en-3-amine (PubChem CID 158427895) has the molecular formula C5H6F5N and a molecular weight of 175.10 g/mol. Its IUPAC name is 4,4,5,5,5-pentafluoropent-2-en-3-amine.

Molecular Properties

Compound Name4,4,5,5,5-pentafluoropent-2-en-3-amine
PubChem CID158427895
Molecular FormulaC5H6F5N
Molecular Weight175.10 g/mol
Exact Mass175.04
IUPAC Name4,4,5,5,5-pentafluoropent-2-en-3-amine
SMILESCC=C(N)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5N/c1-2-3(11)4(6,7)5(8,9)10/h2H,11H2,1H3
InChIKeyHBHAKVQTNSEPEC-UHFFFAOYSA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,5-pentafluoropent-2-en-3-amine?
The IUPAC name of 4,4,5,5,5-pentafluoropent-2-en-3-amine (CID 158427895) is 4,4,5,5,5-pentafluoropent-2-en-3-amine.
What is the SMILES notation for 4,4,5,5,5-pentafluoropent-2-en-3-amine?
The canonical SMILES for 4,4,5,5,5-pentafluoropent-2-en-3-amine is CC=C(N)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,5-pentafluoropent-2-en-3-amine?
The InChIKey is HBHAKVQTNSEPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5N/c1-2-3(11)4(6,7)5(8,9)10/h2H,11H2,1H3.
What are the key properties of 4,4,5,5,5-pentafluoropent-2-en-3-amine?
4,4,5,5,5-pentafluoropent-2-en-3-amine has a molecular weight of 175.10 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,5-pentafluoropent-2-en-3-amine is sourced from PubChem (CID 158427895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).