3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol

C8H16F3NO2 — CID 66091391

IUPAC3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
SMILESCC(CCO)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2-3-13)4-12-5-7(14)8(9,10)11/h6-7,12-14H,2-5H2,1H3
InChIKeySNILQOJSBSODMP-UHFFFAOYSA-N
MW215.21 g/mol
LogP0.52
Rot. Bonds6

About 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol

3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 66091391) has the molecular formula C8H16F3NO2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
PubChem CID66091391
Molecular FormulaC8H16F3NO2
Molecular Weight215.21 g/mol
Exact Mass215.11
IUPAC Name3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
SMILESCC(CCO)CNCC(O)C(F)(F)F
InChIInChI=1S/C8H16F3NO2/c1-6(2-3-13)4-12-5-7(14)8(9,10)11/h6-7,12-14H,2-5H2,1H3
InChIKeySNILQOJSBSODMP-UHFFFAOYSA-N
XLogP0.52
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol (CID 66091391) is 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol is CC(CCO)CNCC(O)C(F)(F)F.
What is the InChIKey of 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is SNILQOJSBSODMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO2/c1-6(2-3-13)4-12-5-7(14)8(9,10)11/h6-7,12-14H,2-5H2,1H3.
What are the key properties of 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 215.21 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 66091391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).