1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol

C12H16FNO — CID 71756765

IUPAC1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8H2
InChIKeyUTJNCRYNTQHBFX-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.00
Rot. Bonds3

About 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol

1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 71756765) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol
PubChem CID71756765
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol
SMILESOC(CC1CCCN1)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8H2
InChIKeyUTJNCRYNTQHBFX-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol (CID 71756765) is 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol is OC(CC1CCCN1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is UTJNCRYNTQHBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8H2.
What are the key properties of 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol?
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 209.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 71756765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).