3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine

C6H10F3NO — CID 123703720

IUPAC3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine
SMILESCC1(NCC(F)(F)F)COC1
InChIInChI=1S/C6H10F3NO/c1-5(3-11-4-5)10-2-6(7,8)9/h10H,2-4H2,1H3
InChIKeyGAVPAMCZWOMXDL-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.93
Rot. Bonds2

About 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine

3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine (PubChem CID 123703720) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine.

Molecular Properties

Compound Name3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine
PubChem CID123703720
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine
SMILESCC1(NCC(F)(F)F)COC1
InChIInChI=1S/C6H10F3NO/c1-5(3-11-4-5)10-2-6(7,8)9/h10H,2-4H2,1H3
InChIKeyGAVPAMCZWOMXDL-UHFFFAOYSA-N
XLogP0.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine?
The IUPAC name of 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine (CID 123703720) is 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine.
What is the SMILES notation for 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine?
The canonical SMILES for 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine is CC1(NCC(F)(F)F)COC1.
What is the InChIKey of 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine?
The InChIKey is GAVPAMCZWOMXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-5(3-11-4-5)10-2-6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine?
3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine has a molecular weight of 169.15 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,2,2-trifluoroethyl)oxetan-3-amine is sourced from PubChem (CID 123703720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).