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

C7H12F3NO — CID 143016514

IUPAC3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol
SMILESOCC(C1CCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(4-12)5-1-2-11-3-5/h5-6,11-12H,1-4H2
InChIKeyIBANUFSNGZNCJH-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.77
Rot. Bonds2

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

3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol (PubChem CID 143016514) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol
PubChem CID143016514
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol
SMILESOCC(C1CCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(4-12)5-1-2-11-3-5/h5-6,11-12H,1-4H2
InChIKeyIBANUFSNGZNCJH-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol (CID 143016514) is 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol is OCC(C1CCNC1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol?
The InChIKey is IBANUFSNGZNCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(4-12)5-1-2-11-3-5/h5-6,11-12H,1-4H2.
What are the key properties of 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol?
3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-pyrrolidin-3-ylpropan-1-ol is sourced from PubChem (CID 143016514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).