2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine

C5H9F4NO — CID 131206797

IUPAC2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)CC(F)(F)C(F)F
InChIInChI=1S/C5H9F4NO/c1-10(11-2)3-5(8,9)4(6)7/h4H,3H2,1-2H3
InChIKeyLYGOQGRGGCQBGR-UHFFFAOYSA-N
MW175.12 g/mol
LogP1.38
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine

2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine (PubChem CID 131206797) has the molecular formula C5H9F4NO and a molecular weight of 175.12 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
PubChem CID131206797
Molecular FormulaC5H9F4NO
Molecular Weight175.12 g/mol
Exact Mass175.06
IUPAC Name2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
SMILESCON(C)CC(F)(F)C(F)F
InChIInChI=1S/C5H9F4NO/c1-10(11-2)3-5(8,9)4(6)7/h4H,3H2,1-2H3
InChIKeyLYGOQGRGGCQBGR-UHFFFAOYSA-N
XLogP1.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine (CID 131206797) is 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine is CON(C)CC(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
The InChIKey is LYGOQGRGGCQBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO/c1-10(11-2)3-5(8,9)4(6)7/h4H,3H2,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine?
2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine has a molecular weight of 175.12 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 131206797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).