3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol

C7H14F3NO3 — CID 14870561

IUPAC3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol
SMILESCON(OC)C(C)(CCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO3/c1-6(4-5-12,7(8,9)10)11(13-2)14-3/h12H,4-5H2,1-3H3
InChIKeyPHTPHTDCFKQCIW-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.11
Rot. Bonds5

About 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol

3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol (PubChem CID 14870561) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol
PubChem CID14870561
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol
SMILESCON(OC)C(C)(CCO)C(F)(F)F
InChIInChI=1S/C7H14F3NO3/c1-6(4-5-12,7(8,9)10)11(13-2)14-3/h12H,4-5H2,1-3H3
InChIKeyPHTPHTDCFKQCIW-UHFFFAOYSA-N
XLogP1.11
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol?
The IUPAC name of 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol (CID 14870561) is 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol.
What is the SMILES notation for 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol?
The canonical SMILES for 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol is CON(OC)C(C)(CCO)C(F)(F)F.
What is the InChIKey of 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol?
The InChIKey is PHTPHTDCFKQCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3/c1-6(4-5-12,7(8,9)10)11(13-2)14-3/h12H,4-5H2,1-3H3.
What are the key properties of 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol?
3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol has a molecular weight of 217.19 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxyamino)-4,4,4-trifluoro-3-methylbutan-1-ol is sourced from PubChem (CID 14870561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).