2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol

C12H24F3NO — CID 61045467

IUPAC2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol
SMILESCCCCCCCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-4-5-6-7-8-11(2,10-17)16-9-12(13,14)15/h16-17H,3-10H2,1-2H3
InChIKeyCXDAJQNQSVPGSS-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.25
Rot. Bonds9

About 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol

2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol (PubChem CID 61045467) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol
PubChem CID61045467
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol
SMILESCCCCCCCC(C)(CO)NCC(F)(F)F
InChIInChI=1S/C12H24F3NO/c1-3-4-5-6-7-8-11(2,10-17)16-9-12(13,14)15/h16-17H,3-10H2,1-2H3
InChIKeyCXDAJQNQSVPGSS-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol?
The IUPAC name of 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol (CID 61045467) is 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol.
What is the SMILES notation for 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol?
The canonical SMILES for 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol is CCCCCCCC(C)(CO)NCC(F)(F)F.
What is the InChIKey of 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol?
The InChIKey is CXDAJQNQSVPGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-3-4-5-6-7-8-11(2,10-17)16-9-12(13,14)15/h16-17H,3-10H2,1-2H3.
What are the key properties of 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol?
2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 3.25, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,2-trifluoroethylamino)nonan-1-ol is sourced from PubChem (CID 61045467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).