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

C9H16F3NO3 — CID 81130953

IUPAC4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
SMILESOC(CNCC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7(14)5-13-6-8(15)1-3-16-4-2-8/h7,13-15H,1-6H2
InChIKeyDZZFJHUWUDCJTG-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.04
Rot. Bonds4

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

4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol (PubChem CID 81130953) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
PubChem CID81130953
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
SMILESOC(CNCC1(O)CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7(14)5-13-6-8(15)1-3-16-4-2-8/h7,13-15H,1-6H2
InChIKeyDZZFJHUWUDCJTG-UHFFFAOYSA-N
XLogP0.04
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol (CID 81130953) is 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol is OC(CNCC1(O)CCOCC1)C(F)(F)F.
What is the InChIKey of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
The InChIKey is DZZFJHUWUDCJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)7(14)5-13-6-8(15)1-3-16-4-2-8/h7,13-15H,1-6H2.
What are the key properties of 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol has a molecular weight of 243.22 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 81130953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).