6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol

C11H22F3NO — CID 116536399

IUPAC6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol
SMILESCCCC(CN)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-9(8-15)10(2,16)6-4-7-11(12,13)14/h9,16H,3-8,15H2,1-2H3
InChIKeyTYOQISZTKLAOCW-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.85
Rot. Bonds7

About 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol

6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol (PubChem CID 116536399) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol.

Molecular Properties

Compound Name6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol
PubChem CID116536399
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol
SMILESCCCC(CN)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-5-9(8-15)10(2,16)6-4-7-11(12,13)14/h9,16H,3-8,15H2,1-2H3
InChIKeyTYOQISZTKLAOCW-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol?
The IUPAC name of 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol (CID 116536399) is 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol.
What is the SMILES notation for 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol?
The canonical SMILES for 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol is CCCC(CN)C(C)(O)CCCC(F)(F)F.
What is the InChIKey of 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol?
The InChIKey is TYOQISZTKLAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-5-9(8-15)10(2,16)6-4-7-11(12,13)14/h9,16H,3-8,15H2,1-2H3.
What are the key properties of 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol?
6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol has a molecular weight of 241.30 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol is sourced from PubChem (CID 116536399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).