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

C7H14F3NO2 — CID 83176713

IUPAC3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
SMILESCC(CCO)NCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-5(2-3-12)11-4-6(13)7(8,9)10/h5-6,11-13H,2-4H2,1H3
InChIKeyKJNRQWIRXNOFHW-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.27
Rot. Bonds5

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

3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol (PubChem CID 83176713) has the molecular formula C7H14F3NO2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
PubChem CID83176713
Molecular FormulaC7H14F3NO2
Molecular Weight201.19 g/mol
Exact Mass201.10
IUPAC Name3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
SMILESCC(CCO)NCC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO2/c1-5(2-3-12)11-4-6(13)7(8,9)10/h5-6,11-13H,2-4H2,1H3
InChIKeyKJNRQWIRXNOFHW-UHFFFAOYSA-N
XLogP0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The IUPAC name of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol (CID 83176713) is 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol.
What is the SMILES notation for 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The canonical SMILES for 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol is CC(CCO)NCC(O)C(F)(F)F.
What is the InChIKey of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
The InChIKey is KJNRQWIRXNOFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO2/c1-5(2-3-12)11-4-6(13)7(8,9)10/h5-6,11-13H,2-4H2,1H3.
What are the key properties of 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol?
3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol has a molecular weight of 201.19 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol is sourced from PubChem (CID 83176713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).