1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

C7H12F3NO — CID 70321196

IUPAC1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)([C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(12,7(8,9)10)5-3-2-4-11-5/h5,11-12H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyUHDZWGIOPXGKHK-ZBHICJROSA-N
MW183.17 g/mol
LogP1.05
Rot. Bonds1

About 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol

1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (PubChem CID 70321196) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
PubChem CID70321196
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)([C@@H]1CCCN1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(12,7(8,9)10)5-3-2-4-11-5/h5,11-12H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyUHDZWGIOPXGKHK-ZBHICJROSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.05
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-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol (CID 70321196) is 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is CC(O)([C@@H]1CCCN1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
The InChIKey is UHDZWGIOPXGKHK-ZBHICJROSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(12,7(8,9)10)5-3-2-4-11-5/h5,11-12H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol?
1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol has a molecular weight of 183.17 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 70321196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).