3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol

C11H14FNO — CID 63587925

IUPAC3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2cccc(F)c2)CCNC1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11/h1-3,6,13-14H,4-5,7-8H2
InChIKeyNYDFCAJRPUFZDC-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.09
Rot. Bonds2

About 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol

3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol (PubChem CID 63587925) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol
PubChem CID63587925
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol
SMILESOC1(Cc2cccc(F)c2)CCNC1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11/h1-3,6,13-14H,4-5,7-8H2
InChIKeyNYDFCAJRPUFZDC-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol (CID 63587925) is 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol is OC1(Cc2cccc(F)c2)CCNC1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol?
The InChIKey is NYDFCAJRPUFZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)7-11(14)4-5-13-8-11/h1-3,6,13-14H,4-5,7-8H2.
What are the key properties of 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol?
3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol has a molecular weight of 195.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 63587925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).