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

C7H12F3NO — CID 82722832

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
SMILESCC1OCCC1NCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5-6(2-3-12-5)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyIZHKUCBAABOAOZ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.32
Rot. Bonds2

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

2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine (PubChem CID 82722832) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
PubChem CID82722832
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine
SMILESCC1OCCC1NCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-5-6(2-3-12-5)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyIZHKUCBAABOAOZ-UHFFFAOYSA-N
XLogP1.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine (CID 82722832) is 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine is CC1OCCC1NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
The InChIKey is IZHKUCBAABOAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5-6(2-3-12-5)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine?
2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine has a molecular weight of 183.17 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)oxolan-3-amine is sourced from PubChem (CID 82722832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).