1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol

C14H20FNO2 — CID 103356738

IUPAC1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol
SMILESCc1cc(N2CCC(C)(O)C2)c([C@@H](C)O)cc1F
InChIInChI=1S/C14H20FNO2/c1-9-6-13(11(10(2)17)7-12(9)15)16-5-4-14(3,18)8-16/h6-7,10,17-18H,4-5,8H2,1-3H3/t10-,14?/m1/s1
InChIKeyBSRGSYGRUPMHTE-IAPIXIRKSA-N
MW253.32 g/mol
LogP2.15
Rot. Bonds2

About 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol

1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol (PubChem CID 103356738) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol
PubChem CID103356738
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol
SMILESCc1cc(N2CCC(C)(O)C2)c([C@@H](C)O)cc1F
InChIInChI=1S/C14H20FNO2/c1-9-6-13(11(10(2)17)7-12(9)15)16-5-4-14(3,18)8-16/h6-7,10,17-18H,4-5,8H2,1-3H3/t10-,14?/m1/s1
InChIKeyBSRGSYGRUPMHTE-IAPIXIRKSA-N
XLogP2.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol (CID 103356738) is 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol is Cc1cc(N2CCC(C)(O)C2)c([C@@H](C)O)cc1F.
What is the InChIKey of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol?
The InChIKey is BSRGSYGRUPMHTE-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9-6-13(11(10(2)17)7-12(9)15)16-5-4-14(3,18)8-16/h6-7,10,17-18H,4-5,8H2,1-3H3/t10-,14?/m1/s1.
What are the key properties of 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol?
1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol has a molecular weight of 253.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[(1R)-1-hydroxyethyl]-5-methylphenyl]-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103356738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).