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

C8H14F3NO — CID 115338764

IUPAC2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine
SMILESCC1OCCC1NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-7(2-5-13-6)12-4-3-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyOBWNAOJTESELPF-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds3

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

2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine (PubChem CID 115338764) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine
PubChem CID115338764
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine
SMILESCC1OCCC1NCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-6-7(2-5-13-6)12-4-3-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyOBWNAOJTESELPF-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine (CID 115338764) is 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine is CC1OCCC1NCCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine?
The InChIKey is OBWNAOJTESELPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6-7(2-5-13-6)12-4-3-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine?
2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,3,3-trifluoropropyl)oxolan-3-amine is sourced from PubChem (CID 115338764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).