1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol

C8H16FNO2 — CID 131140409

IUPAC1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(O)CF)C1
InChIInChI=1S/C8H16FNO2/c1-8(12)2-3-10(6-8)5-7(11)4-9/h7,11-12H,2-6H2,1H3
InChIKeyLJBYNIBKRQGISU-UHFFFAOYSA-N
MW177.22 g/mol
LogP-0.23
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol

1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol (PubChem CID 131140409) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol
PubChem CID131140409
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(CC(O)CF)C1
InChIInChI=1S/C8H16FNO2/c1-8(12)2-3-10(6-8)5-7(11)4-9/h7,11-12H,2-6H2,1H3
InChIKeyLJBYNIBKRQGISU-UHFFFAOYSA-N
XLogP-0.23
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115874131
1-(iodomethyl)-3-methylpyrrolidin-3-ol
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1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 81103491
1-(3,3-difluoropyrrolidin-1-yl)butan-2-ol;ethane
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CID 103370267
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-fluoropropan-2-ol
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4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol (CID 131140409) is 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol is CC1(O)CCN(CC(O)CF)C1.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol?
The InChIKey is LJBYNIBKRQGISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-8(12)2-3-10(6-8)5-7(11)4-9/h7,11-12H,2-6H2,1H3.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol?
1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol has a molecular weight of 177.22 g/mol, XLogP of -0.23, 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)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 131140409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).