3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol

C8H16F3NO2 — CID 114493474

IUPAC3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-3-7(13,4-2)5-12-14-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyRUCBTQFUJWOTPK-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.62
Rot. Bonds6

About 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol

3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol (PubChem CID 114493474) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol
PubChem CID114493474
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-3-7(13,4-2)5-12-14-6-8(9,10)11/h12-13H,3-6H2,1-2H3
InChIKeyRUCBTQFUJWOTPK-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.62
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 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol (CID 114493474) is 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol is CCC(O)(CC)CNOCC(F)(F)F.
What is the InChIKey of 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol?
The InChIKey is RUCBTQFUJWOTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-3-7(13,4-2)5-12-14-6-8(9,10)11/h12-13H,3-6H2,1-2H3.
What are the key properties of 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol?
3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol has a molecular weight of 215.21 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2,2-trifluoroethoxyamino)methyl]pentan-3-ol is sourced from PubChem (CID 114493474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).