2,2-difluoropent-4-en-1-amine

C5H9F2N — CID 55296389

IUPAC2,2-difluoropent-4-en-1-amine
SMILESC=CCC(F)(F)CN
InChIInChI=1S/C5H9F2N/c1-2-3-5(6,7)4-8/h2H,1,3-4,8H2
InChIKeyJVLNJPABNYBPEI-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.16
Rot. Bonds3

About 2,2-difluoropent-4-en-1-amine

2,2-difluoropent-4-en-1-amine (PubChem CID 55296389) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 2,2-difluoropent-4-en-1-amine.

Molecular Properties

Compound Name2,2-difluoropent-4-en-1-amine
PubChem CID55296389
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name2,2-difluoropent-4-en-1-amine
SMILESC=CCC(F)(F)CN
InChIInChI=1S/C5H9F2N/c1-2-3-5(6,7)4-8/h2H,1,3-4,8H2
InChIKeyJVLNJPABNYBPEI-UHFFFAOYSA-N
XLogP1.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.16
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 2,2-difluoropent-4-en-1-amine?
The IUPAC name of 2,2-difluoropent-4-en-1-amine (CID 55296389) is 2,2-difluoropent-4-en-1-amine.
What is the SMILES notation for 2,2-difluoropent-4-en-1-amine?
The canonical SMILES for 2,2-difluoropent-4-en-1-amine is C=CCC(F)(F)CN.
What is the InChIKey of 2,2-difluoropent-4-en-1-amine?
The InChIKey is JVLNJPABNYBPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-2-3-5(6,7)4-8/h2H,1,3-4,8H2.
What are the key properties of 2,2-difluoropent-4-en-1-amine?
2,2-difluoropent-4-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropent-4-en-1-amine is sourced from PubChem (CID 55296389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).