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

C9H16F3NO — CID 63935673

IUPAC3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO/c1-13-8(6-9(10,11)12)7-2-4-14-5-3-7/h7-8,13H,2-6H2,1H3
InChIKeyUOROZMJGHWEJHQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

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

3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine (PubChem CID 63935673) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
PubChem CID63935673
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO/c1-13-8(6-9(10,11)12)7-2-4-14-5-3-7/h7-8,13H,2-6H2,1H3
InChIKeyUOROZMJGHWEJHQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine (CID 63935673) is 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine is CNC(CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?
The InChIKey is UOROZMJGHWEJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-13-8(6-9(10,11)12)7-2-4-14-5-3-7/h7-8,13H,2-6H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 63935673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).