2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

C11H20F3NO — CID 114899384

IUPAC2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C11H20F3NO/c1-9(7-15-8-11(12,13)14)6-10-2-4-16-5-3-10/h9-10,15H,2-8H2,1H3
InChIKeyNGQNYVVEPFLCCB-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 114899384) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID114899384
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)CC1CCOCC1
InChIInChI=1S/C11H20F3NO/c1-9(7-15-8-11(12,13)14)6-10-2-4-16-5-3-10/h9-10,15H,2-8H2,1H3
InChIKeyNGQNYVVEPFLCCB-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 114899384) is 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)CC1CCOCC1.
What is the InChIKey of 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is NGQNYVVEPFLCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(7-15-8-11(12,13)14)6-10-2-4-16-5-3-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 114899384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).