2-amino-2-(difluoromethyl)pent-3-enenitrile

C6H8F2N2 — CID 54478514

IUPAC2-amino-2-(difluoromethyl)pent-3-enenitrile
SMILESCC=CC(N)(C#N)C(F)F
InChIInChI=1S/C6H8F2N2/c1-2-3-6(10,4-9)5(7)8/h2-3,5H,10H2,1H3
InChIKeyXNHXKGVTSRGMPK-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.05
Rot. Bonds2

About 2-amino-2-(difluoromethyl)pent-3-enenitrile

2-amino-2-(difluoromethyl)pent-3-enenitrile (PubChem CID 54478514) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 2-amino-2-(difluoromethyl)pent-3-enenitrile.

Molecular Properties

Compound Name2-amino-2-(difluoromethyl)pent-3-enenitrile
PubChem CID54478514
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name2-amino-2-(difluoromethyl)pent-3-enenitrile
SMILESCC=CC(N)(C#N)C(F)F
InChIInChI=1S/C6H8F2N2/c1-2-3-6(10,4-9)5(7)8/h2-3,5H,10H2,1H3
InChIKeyXNHXKGVTSRGMPK-UHFFFAOYSA-N
XLogP1.05
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-2-amino-2-(fluoromethyl)-3-pentenenitrile
CID 14597126
(E)-2-amino-2-(difluoromethyl)pent-3-enenitrile
CID 20487191
2-Fluoromethyl-2-amino-3-pentenenitrile
CID 54175747
2-Amino-2-(fluoromethyl)hex-3-enenitrile
CID 88751861
(Z)-2-amino-2-(fluoromethyl)pent-3-enenitrile
CID 91999097
1,1-Difluoro-2-methylhex-3-en-2-amine
CID 165636222
1,1-Difluoro-2-methylhept-3-en-2-amine
CID 165667030

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(difluoromethyl)pent-3-enenitrile?
The IUPAC name of 2-amino-2-(difluoromethyl)pent-3-enenitrile (CID 54478514) is 2-amino-2-(difluoromethyl)pent-3-enenitrile.
What is the SMILES notation for 2-amino-2-(difluoromethyl)pent-3-enenitrile?
The canonical SMILES for 2-amino-2-(difluoromethyl)pent-3-enenitrile is CC=CC(N)(C#N)C(F)F.
What is the InChIKey of 2-amino-2-(difluoromethyl)pent-3-enenitrile?
The InChIKey is XNHXKGVTSRGMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-2-3-6(10,4-9)5(7)8/h2-3,5H,10H2,1H3.
What are the key properties of 2-amino-2-(difluoromethyl)pent-3-enenitrile?
2-amino-2-(difluoromethyl)pent-3-enenitrile has a molecular weight of 146.14 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(difluoromethyl)pent-3-enenitrile is sourced from PubChem (CID 54478514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).