4,5,5-trifluoropent-4-en-1-amine

C5H8F3N — CID 162606521

IUPAC4,5,5-trifluoropent-4-en-1-amine
SMILESNCCCC(F)=C(F)F
InChIInChI=1S/C5H8F3N/c6-4(5(7)8)2-1-3-9/h1-3,9H2
InChIKeySZSLDYSHNAZVQX-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.80
Rot. Bonds3

About 4,5,5-trifluoropent-4-en-1-amine

4,5,5-trifluoropent-4-en-1-amine (PubChem CID 162606521) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 4,5,5-trifluoropent-4-en-1-amine.

Molecular Properties

Compound Name4,5,5-trifluoropent-4-en-1-amine
PubChem CID162606521
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name4,5,5-trifluoropent-4-en-1-amine
SMILESNCCCC(F)=C(F)F
InChIInChI=1S/C5H8F3N/c6-4(5(7)8)2-1-3-9/h1-3,9H2
InChIKeySZSLDYSHNAZVQX-UHFFFAOYSA-N
XLogP1.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 4,5,5-trifluoropent-4-en-1-amine?
The IUPAC name of 4,5,5-trifluoropent-4-en-1-amine (CID 162606521) is 4,5,5-trifluoropent-4-en-1-amine.
What is the SMILES notation for 4,5,5-trifluoropent-4-en-1-amine?
The canonical SMILES for 4,5,5-trifluoropent-4-en-1-amine is NCCCC(F)=C(F)F.
What is the InChIKey of 4,5,5-trifluoropent-4-en-1-amine?
The InChIKey is SZSLDYSHNAZVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c6-4(5(7)8)2-1-3-9/h1-3,9H2.
What are the key properties of 4,5,5-trifluoropent-4-en-1-amine?
4,5,5-trifluoropent-4-en-1-amine has a molecular weight of 139.12 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trifluoropent-4-en-1-amine is sourced from PubChem (CID 162606521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).