6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine

C11H22F3NO — CID 79197939

IUPAC6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C11H22F3NO/c1-5-8-15-9(10(2,3)16-4)6-7-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyTZWCBTCLUIYJPO-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.12
Rot. Bonds7

About 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine

6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine (PubChem CID 79197939) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
PubChem CID79197939
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C11H22F3NO/c1-5-8-15-9(10(2,3)16-4)6-7-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyTZWCBTCLUIYJPO-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.12
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-2-methoxy-2-methyl-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine (CID 79197939) is 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine is CCCNC(CCC(F)(F)F)C(C)(C)OC.
What is the InChIKey of 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine?
The InChIKey is TZWCBTCLUIYJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-5-8-15-9(10(2,3)16-4)6-7-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine?
6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.12, 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-2-methoxy-2-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 79197939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).