1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol

C7H12F3NO — CID 84732502

IUPAC1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol
SMILESOC(CC1CCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-5-1-2-11-4-5/h5-6,11-12H,1-4H2
InChIKeyBEHRNNPMAYATNG-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.91
Rot. Bonds2

About 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol

1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol (PubChem CID 84732502) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol
PubChem CID84732502
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol
SMILESOC(CC1CCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-5-1-2-11-4-5/h5-6,11-12H,1-4H2
InChIKeyBEHRNNPMAYATNG-UHFFFAOYSA-N
XLogP0.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol (CID 84732502) is 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol is OC(CC1CCNC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol?
The InChIKey is BEHRNNPMAYATNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-5-1-2-11-4-5/h5-6,11-12H,1-4H2.
What are the key properties of 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol?
1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol has a molecular weight of 183.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-pyrrolidin-3-ylpropan-2-ol is sourced from PubChem (CID 84732502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).