1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol

C9H16F3NO3 — CID 104761007

IUPAC1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
SMILESCOC1(CNCC(O)C(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3/c1-15-8(2-3-16-6-8)5-13-4-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyLMCQTYKSGFNGRN-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.30
Rot. Bonds5

About 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol

1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol (PubChem CID 104761007) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
PubChem CID104761007
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
SMILESCOC1(CNCC(O)C(F)(F)F)CCOC1
InChIInChI=1S/C9H16F3NO3/c1-15-8(2-3-16-6-8)5-13-4-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3
InChIKeyLMCQTYKSGFNGRN-UHFFFAOYSA-N
XLogP0.30
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol (CID 104761007) is 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol is COC1(CNCC(O)C(F)(F)F)CCOC1.
What is the InChIKey of 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
The InChIKey is LMCQTYKSGFNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-15-8(2-3-16-6-8)5-13-4-7(14)9(10,11)12/h7,13-14H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol?
1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol has a molecular weight of 243.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol is sourced from PubChem (CID 104761007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).