1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol

C9H16F3NO3 — CID 104709035

IUPAC1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol
SMILESOCC1(NCC(O)C(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7(15)5-13-8(6-14)1-3-16-4-2-8/h7,13-15H,1-6H2
InChIKeyHBOAZYVXYYKODL-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.04
Rot. Bonds4

About 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol

1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol (PubChem CID 104709035) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol
PubChem CID104709035
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol
SMILESOCC1(NCC(O)C(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO3/c10-9(11,12)7(15)5-13-8(6-14)1-3-16-4-2-8/h7,13-15H,1-6H2
InChIKeyHBOAZYVXYYKODL-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 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol (CID 104709035) is 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol is OCC1(NCC(O)C(F)(F)F)CCOCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol?
The InChIKey is HBOAZYVXYYKODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c10-9(11,12)7(15)5-13-8(6-14)1-3-16-4-2-8/h7,13-15H,1-6H2.
What are the key properties of 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-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 1,1,1-trifluoro-3-[[4-(hydroxymethyl)oxan-4-yl]amino]propan-2-ol is sourced from PubChem (CID 104709035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).