1-(dibutylamino)-2,2,2-trifluoroethanol

C10H20F3NO — CID 10857179

IUPAC1-(dibutylamino)-2,2,2-trifluoroethanol
SMILESCCCCN(CCCC)C(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-5-7-14(8-6-4-2)9(15)10(11,12)13/h9,15H,3-8H2,1-2H3
InChIKeyQRKCIBVAZIKNAR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.77
Rot. Bonds7

About 1-(dibutylamino)-2,2,2-trifluoroethanol

1-(dibutylamino)-2,2,2-trifluoroethanol (PubChem CID 10857179) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-(dibutylamino)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(dibutylamino)-2,2,2-trifluoroethanol
PubChem CID10857179
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name1-(dibutylamino)-2,2,2-trifluoroethanol
SMILESCCCCN(CCCC)C(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-5-7-14(8-6-4-2)9(15)10(11,12)13/h9,15H,3-8H2,1-2H3
InChIKeyQRKCIBVAZIKNAR-UHFFFAOYSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(dibutylamino)-2,2,2-trifluoroethanol (CID 10857179) is 1-(dibutylamino)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(dibutylamino)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(dibutylamino)-2,2,2-trifluoroethanol is CCCCN(CCCC)C(O)C(F)(F)F.
What is the InChIKey of 1-(dibutylamino)-2,2,2-trifluoroethanol?
The InChIKey is QRKCIBVAZIKNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-5-7-14(8-6-4-2)9(15)10(11,12)13/h9,15H,3-8H2,1-2H3.
What are the key properties of 1-(dibutylamino)-2,2,2-trifluoroethanol?
1-(dibutylamino)-2,2,2-trifluoroethanol has a molecular weight of 227.27 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)-2,2,2-trifluoroethanol is sourced from PubChem (CID 10857179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).