(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine

C4H4F5N — CID 130418460

IUPAC(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine
SMILESCN/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H4F5N/c1-10-3(6)2(5)4(7,8)9/h10H,1H3/b3-2-
InChIKeyYXQOCYHTKRLHNO-IHWYPQMZSA-N
MW161.07 g/mol
LogP1.88
Rot. Bonds1

About (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine

(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine (PubChem CID 130418460) has the molecular formula C4H4F5N and a molecular weight of 161.07 g/mol. Its IUPAC name is (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine
PubChem CID130418460
Molecular FormulaC4H4F5N
Molecular Weight161.07 g/mol
Exact Mass161.03
IUPAC Name(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine
SMILESCN/C(F)=C(\F)C(F)(F)F
InChIInChI=1S/C4H4F5N/c1-10-3(6)2(5)4(7,8)9/h10H,1H3/b3-2-
InChIKeyYXQOCYHTKRLHNO-IHWYPQMZSA-N
XLogP1.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine?
The IUPAC name of (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine (CID 130418460) is (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine.
What is the SMILES notation for (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine?
The canonical SMILES for (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine is CN/C(F)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine?
The InChIKey is YXQOCYHTKRLHNO-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H4F5N/c1-10-3(6)2(5)4(7,8)9/h10H,1H3/b3-2-.
What are the key properties of (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine?
(E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine has a molecular weight of 161.07 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2,3,3,3-pentafluoro-N-methylprop-1-en-1-amine is sourced from PubChem (CID 130418460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).