1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

C14H20FNO — CID 79056202

IUPAC1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C14H20FNO/c1-14(2,16-9-3-4-10-16)13(17)11-5-7-12(15)8-6-11/h5-8,13,17H,3-4,9-10H2,1-2H3
InChIKeyTZLKAOJXHHQGOP-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol

1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (PubChem CID 79056202) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
PubChem CID79056202
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol
SMILESCC(C)(C(O)c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C14H20FNO/c1-14(2,16-9-3-4-10-16)13(17)11-5-7-12(15)8-6-11/h5-8,13,17H,3-4,9-10H2,1-2H3
InChIKeyTZLKAOJXHHQGOP-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol (CID 79056202) is 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is CC(C)(C(O)c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is TZLKAOJXHHQGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-14(2,16-9-3-4-10-16)13(17)11-5-7-12(15)8-6-11/h5-8,13,17H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol?
1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 237.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 79056202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).