1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine

C4H4F5N — CID 174959511

IUPAC1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine
SMILESCNC(F)(F)C(F)=C(F)F
InChIInChI=1S/C4H4F5N/c1-10-4(8,9)2(5)3(6)7/h10H,1H3
InChIKeySVPWYFDIZBCZKE-UHFFFAOYSA-N
MW161.07 g/mol
LogP1.88
Rot. Bonds2

About 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine

1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine (PubChem CID 174959511) has the molecular formula C4H4F5N and a molecular weight of 161.07 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine
PubChem CID174959511
Molecular FormulaC4H4F5N
Molecular Weight161.07 g/mol
Exact Mass161.03
IUPAC Name1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine
SMILESCNC(F)(F)C(F)=C(F)F
InChIInChI=1S/C4H4F5N/c1-10-4(8,9)2(5)3(6)7/h10H,1H3
InChIKeySVPWYFDIZBCZKE-UHFFFAOYSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.07
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine?
The IUPAC name of 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine (CID 174959511) is 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine?
The canonical SMILES for 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine is CNC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine?
The InChIKey is SVPWYFDIZBCZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F5N/c1-10-4(8,9)2(5)3(6)7/h10H,1H3.
What are the key properties of 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine?
1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine has a molecular weight of 161.07 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-N-methylprop-2-en-1-amine is sourced from PubChem (CID 174959511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).