1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol

C9H18FNO2 — CID 131048283

IUPAC1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1CC(O)CF
InChIInChI=1S/C9H18FNO2/c1-9(2)8(13)3-4-11(9)6-7(12)5-10/h7-8,12-13H,3-6H2,1-2H3
InChIKeyCBFITRKHXFXUQY-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.16
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol

1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol (PubChem CID 131048283) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol
PubChem CID131048283
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol
SMILESCC1(C)C(O)CCN1CC(O)CF
InChIInChI=1S/C9H18FNO2/c1-9(2)8(13)3-4-11(9)6-7(12)5-10/h7-8,12-13H,3-6H2,1-2H3
InChIKeyCBFITRKHXFXUQY-UHFFFAOYSA-N
XLogP0.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol (CID 131048283) is 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol is CC1(C)C(O)CCN1CC(O)CF.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol?
The InChIKey is CBFITRKHXFXUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-9(2)8(13)3-4-11(9)6-7(12)5-10/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol?
1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol has a molecular weight of 191.25 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)-2,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 131048283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).