6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine

C11H20F3NO — CID 116534899

IUPAC6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1(C)COC1
InChIInChI=1S/C11H20F3NO/c1-9(4-3-5-11(12,13)14)15-6-10(2)7-16-8-10/h9,15H,3-8H2,1-2H3
InChIKeyHCYVHLQJYIQLSG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.73
Rot. Bonds6

About 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine

6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine (PubChem CID 116534899) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine
PubChem CID116534899
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1(C)COC1
InChIInChI=1S/C11H20F3NO/c1-9(4-3-5-11(12,13)14)15-6-10(2)7-16-8-10/h9,15H,3-8H2,1-2H3
InChIKeyHCYVHLQJYIQLSG-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-[(3-methyloxetan-3-yl)methyl]hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine (CID 116534899) is 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine is CC(CCCC(F)(F)F)NCC1(C)COC1.
What is the InChIKey of 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine?
The InChIKey is HCYVHLQJYIQLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(4-3-5-11(12,13)14)15-6-10(2)7-16-8-10/h9,15H,3-8H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]hexan-2-amine?
6,6,6-trifluoro-N-[(3-methyloxetan-3-yl)methyl]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-[(3-methyloxetan-3-yl)methyl]hexan-2-amine is sourced from PubChem (CID 116534899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).