4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine

C9H17F3N2O — CID 66238145

IUPAC4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
SMILESCN(CCC(F)(F)F)CC1COCC1N
InChIInChI=1S/C9H17F3N2O/c1-14(3-2-9(10,11)12)4-7-5-15-6-8(7)13/h7-8H,2-6,13H2,1H3
InChIKeyKHGBDKCIWYCIBU-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.84
Rot. Bonds4

About 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine

4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine (PubChem CID 66238145) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
PubChem CID66238145
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine
SMILESCN(CCC(F)(F)F)CC1COCC1N
InChIInChI=1S/C9H17F3N2O/c1-14(3-2-9(10,11)12)4-7-5-15-6-8(7)13/h7-8H,2-6,13H2,1H3
InChIKeyKHGBDKCIWYCIBU-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The IUPAC name of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine (CID 66238145) is 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine is CN(CCC(F)(F)F)CC1COCC1N.
What is the InChIKey of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
The InChIKey is KHGBDKCIWYCIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-14(3-2-9(10,11)12)4-7-5-15-6-8(7)13/h7-8H,2-6,13H2,1H3.
What are the key properties of 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine?
4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66238145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).