1,1,1-trifluoropent-2-en-2-amine

C5H8F3N — CID 88724241

IUPAC1,1,1-trifluoropent-2-en-2-amine
SMILESCCC=C(N)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h3H,2,9H2,1H3
InChIKeyWXHFWHCOWMWBDW-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.80
Rot. Bonds1

About 1,1,1-trifluoropent-2-en-2-amine

1,1,1-trifluoropent-2-en-2-amine (PubChem CID 88724241) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 1,1,1-trifluoropent-2-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoropent-2-en-2-amine
PubChem CID88724241
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name1,1,1-trifluoropent-2-en-2-amine
SMILESCCC=C(N)C(F)(F)F
InChIInChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h3H,2,9H2,1H3
InChIKeyWXHFWHCOWMWBDW-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropent-2-en-2-amine?
The IUPAC name of 1,1,1-trifluoropent-2-en-2-amine (CID 88724241) is 1,1,1-trifluoropent-2-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoropent-2-en-2-amine?
The canonical SMILES for 1,1,1-trifluoropent-2-en-2-amine is CCC=C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropent-2-en-2-amine?
The InChIKey is WXHFWHCOWMWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h3H,2,9H2,1H3.
What are the key properties of 1,1,1-trifluoropent-2-en-2-amine?
1,1,1-trifluoropent-2-en-2-amine has a molecular weight of 139.12 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropent-2-en-2-amine is sourced from PubChem (CID 88724241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).