1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine

C5H8F5NO — CID 23262288

IUPAC1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)C(F)(F)CC(F)(F)F
InChIInChI=1S/C5H8F5NO/c1-11(12-2)5(9,10)3-4(6,7)8/h3H2,1-2H3
InChIKeyKYNFMBQJMYVGSR-UHFFFAOYSA-N
MW193.11 g/mol
LogP2.02
Rot. Bonds3

About 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine

1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine (PubChem CID 23262288) has the molecular formula C5H8F5NO and a molecular weight of 193.11 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine
PubChem CID23262288
Molecular FormulaC5H8F5NO
Molecular Weight193.11 g/mol
Exact Mass193.05
IUPAC Name1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)C(F)(F)CC(F)(F)F
InChIInChI=1S/C5H8F5NO/c1-11(12-2)5(9,10)3-4(6,7)8/h3H2,1-2H3
InChIKeyKYNFMBQJMYVGSR-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine?
The IUPAC name of 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine (CID 23262288) is 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine is CON(C)C(F)(F)CC(F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine?
The InChIKey is KYNFMBQJMYVGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO/c1-11(12-2)5(9,10)3-4(6,7)8/h3H2,1-2H3.
What are the key properties of 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine?
1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine has a molecular weight of 193.11 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoro-N-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 23262288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).