2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol

C8H16FNO — CID 178035005

IUPAC2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol
SMILESCN1CC[C@](F)(C(C)(C)O)C1
InChIInChI=1S/C8H16FNO/c1-7(2,11)8(9)4-5-10(3)6-8/h11H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyWIRVGJUAHBQLEM-MRVPVSSYSA-N
MW161.22 g/mol
LogP0.80
Rot. Bonds1

About 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol

2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol (PubChem CID 178035005) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol
PubChem CID178035005
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol
SMILESCN1CC[C@](F)(C(C)(C)O)C1
InChIInChI=1S/C8H16FNO/c1-7(2,11)8(9)4-5-10(3)6-8/h11H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyWIRVGJUAHBQLEM-MRVPVSSYSA-N
XLogP0.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol?
The IUPAC name of 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol (CID 178035005) is 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol is CN1CC[C@](F)(C(C)(C)O)C1.
What is the InChIKey of 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol?
The InChIKey is WIRVGJUAHBQLEM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2,11)8(9)4-5-10(3)6-8/h11H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol?
2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol has a molecular weight of 161.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-fluoro-1-methylpyrrolidin-3-yl]propan-2-ol is sourced from PubChem (CID 178035005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).