2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol

C8H16F3NO2 — CID 65106052

IUPAC2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol
SMILESCCC(C)(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-3-7(2,14)5-12-4-6(13)8(9,10)11/h6,12-14H,3-5H2,1-2H3
InChIKeyIMOJGCMPZHGMRX-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.66
Rot. Bonds5

About 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol

2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol (PubChem CID 65106052) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol
PubChem CID65106052
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol
SMILESCCC(C)(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-3-7(2,14)5-12-4-6(13)8(9,10)11/h6,12-14H,3-5H2,1-2H3
InChIKeyIMOJGCMPZHGMRX-UHFFFAOYSA-N
XLogP0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol?
The IUPAC name of 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol (CID 65106052) is 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol is CCC(C)(O)CNCC(O)C(F)(F)F.
What is the InChIKey of 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol?
The InChIKey is IMOJGCMPZHGMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-3-7(2,14)5-12-4-6(13)8(9,10)11/h6,12-14H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol?
2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol has a molecular weight of 215.21 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol is sourced from PubChem (CID 65106052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).