3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine

C5H10F3NO — CID 58442351

IUPAC3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(3-9,10-2)5(6,7)8/h3,9H2,1-2H3
InChIKeyKLOSUTGQAQIJBT-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.91
Rot. Bonds2

About 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine

3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine (PubChem CID 58442351) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine
PubChem CID58442351
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(3-9,10-2)5(6,7)8/h3,9H2,1-2H3
InChIKeyKLOSUTGQAQIJBT-UHFFFAOYSA-N
XLogP0.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine (CID 58442351) is 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine is COC(C)(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine?
The InChIKey is KLOSUTGQAQIJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-4(3-9,10-2)5(6,7)8/h3,9H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine?
3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine has a molecular weight of 157.13 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 58442351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).