6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine

C11H20F3NO — CID 116534551

IUPAC6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1CCOC1
InChIInChI=1S/C11H20F3NO/c1-9(3-2-5-11(12,13)14)15-7-10-4-6-16-8-10/h9-10,15H,2-8H2,1H3
InChIKeyCBBXCDODMUOITP-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds6

About 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine

6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine (PubChem CID 116534551) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine
PubChem CID116534551
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1CCOC1
InChIInChI=1S/C11H20F3NO/c1-9(3-2-5-11(12,13)14)15-7-10-4-6-16-8-10/h9-10,15H,2-8H2,1H3
InChIKeyCBBXCDODMUOITP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.73
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-(oxolan-3-ylmethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine (CID 116534551) is 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine is CC(CCCC(F)(F)F)NCC1CCOC1.
What is the InChIKey of 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine?
The InChIKey is CBBXCDODMUOITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(3-2-5-11(12,13)14)15-7-10-4-6-16-8-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine?
6,6,6-trifluoro-N-(oxolan-3-ylmethyl)hexan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.73, 6 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-(oxolan-3-ylmethyl)hexan-2-amine is sourced from PubChem (CID 116534551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).