6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine

C13H24F3NO — CID 104925880

IUPAC6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCC1CCCCO1
InChIInChI=1S/C13H24F3NO/c1-11(5-4-8-13(14,15)16)17-9-7-12-6-2-3-10-18-12/h11-12,17H,2-10H2,1H3
InChIKeyXNSDCLPCKXEAKS-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.66
Rot. Bonds7

About 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine

6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine (PubChem CID 104925880) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine
PubChem CID104925880
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCC1CCCCO1
InChIInChI=1S/C13H24F3NO/c1-11(5-4-8-13(14,15)16)17-9-7-12-6-2-3-10-18-12/h11-12,17H,2-10H2,1H3
InChIKeyXNSDCLPCKXEAKS-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine (CID 104925880) is 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine is CC(CCCC(F)(F)F)NCCC1CCCCO1.
What is the InChIKey of 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine?
The InChIKey is XNSDCLPCKXEAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(5-4-8-13(14,15)16)17-9-7-12-6-2-3-10-18-12/h11-12,17H,2-10H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine?
6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-N-[2-(oxan-2-yl)ethyl]hexan-2-amine is sourced from PubChem (CID 104925880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).