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

C6H12F3NO2 — CID 63899383

IUPAC1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
SMILESCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-10(2-3-11)4-5(12)6(7,8)9/h5,11-12H,2-4H2,1H3
InChIKeyYHVHFSBCMLGEKR-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.17
Rot. Bonds4

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

1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol (PubChem CID 63899383) has the molecular formula C6H12F3NO2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
PubChem CID63899383
Molecular FormulaC6H12F3NO2
Molecular Weight187.16 g/mol
Exact Mass187.08
IUPAC Name1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol
SMILESCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO2/c1-10(2-3-11)4-5(12)6(7,8)9/h5,11-12H,2-4H2,1H3
InChIKeyYHVHFSBCMLGEKR-UHFFFAOYSA-N
XLogP-0.17
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.17
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(methyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol (CID 63899383) is 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol is CN(CCO)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
The InChIKey is YHVHFSBCMLGEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2/c1-10(2-3-11)4-5(12)6(7,8)9/h5,11-12H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[2-hydroxyethyl(methyl)amino]propan-2-ol has a molecular weight of 187.16 g/mol, XLogP of -0.17, 4 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(methyl)amino]propan-2-ol is sourced from PubChem (CID 63899383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).