1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol

C10H18F3NO2 — CID 82722622

IUPAC1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
SMILESOC1(CNOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-14-7-9(15)5-3-1-2-4-6-9/h14-15H,1-8H2
InChIKeyUEBJGLNNYNOQBI-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.16
Rot. Bonds4

About 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol

1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol (PubChem CID 82722622) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
PubChem CID82722622
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol
SMILESOC1(CNOCC(F)(F)F)CCCCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8-16-14-7-9(15)5-3-1-2-4-6-9/h14-15H,1-8H2
InChIKeyUEBJGLNNYNOQBI-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol (CID 82722622) is 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol is OC1(CNOCC(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol?
The InChIKey is UEBJGLNNYNOQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8-16-14-7-9(15)5-3-1-2-4-6-9/h14-15H,1-8H2.
What are the key properties of 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol?
1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroethoxyamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 82722622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).