1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol

C14H20FNO2 — CID 112629223

IUPAC1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCC1CCN(CCC(O)c2ccccc2F)C1
InChIInChI=1S/C14H20FNO2/c15-13-4-2-1-3-12(13)14(18)6-8-16-7-5-11(9-16)10-17/h1-4,11,14,17-18H,5-10H2
InChIKeyQITJQJCOFHVHSK-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.56
Rot. Bonds5

About 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol

1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 112629223) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID112629223
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCC1CCN(CCC(O)c2ccccc2F)C1
InChIInChI=1S/C14H20FNO2/c15-13-4-2-1-3-12(13)14(18)6-8-16-7-5-11(9-16)10-17/h1-4,11,14,17-18H,5-10H2
InChIKeyQITJQJCOFHVHSK-UHFFFAOYSA-N
XLogP1.56
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol (CID 112629223) is 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol is OCC1CCN(CCC(O)c2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is QITJQJCOFHVHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-13-4-2-1-3-12(13)14(18)6-8-16-7-5-11(9-16)10-17/h1-4,11,14,17-18H,5-10H2.
What are the key properties of 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol?
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 253.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 112629223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).