1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol

C8H16F3NO2 — CID 63899795

IUPAC1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
SMILESCCCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-2-3-12(4-5-13)6-7(14)8(9,10)11/h7,13-14H,2-6H2,1H3
InChIKeyDALVRNHIRRKVRV-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.61
Rot. Bonds6

About 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol

1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol (PubChem CID 63899795) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
PubChem CID63899795
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
SMILESCCCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-2-3-12(4-5-13)6-7(14)8(9,10)11/h7,13-14H,2-6H2,1H3
InChIKeyDALVRNHIRRKVRV-UHFFFAOYSA-N
XLogP0.61
TPSA43.70 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 ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol (CID 63899795) is 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol is CCCN(CCO)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
The InChIKey is DALVRNHIRRKVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-2-3-12(4-5-13)6-7(14)8(9,10)11/h7,13-14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-hydroxyethyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 63899795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).