2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol

C12H16FNO — CID 83855903

IUPAC2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol
SMILESCN1CCC(C(F)c2ccccc2O)C1
InChIInChI=1S/C12H16FNO/c1-14-7-6-9(8-14)12(13)10-4-2-3-5-11(10)15/h2-5,9,12,15H,6-8H2,1H3
InChIKeyDIDAZGYAUUTBQU-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.35
Rot. Bonds2

About 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol

2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol (PubChem CID 83855903) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol.

Molecular Properties

Compound Name2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol
PubChem CID83855903
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol
SMILESCN1CCC(C(F)c2ccccc2O)C1
InChIInChI=1S/C12H16FNO/c1-14-7-6-9(8-14)12(13)10-4-2-3-5-11(10)15/h2-5,9,12,15H,6-8H2,1H3
InChIKeyDIDAZGYAUUTBQU-UHFFFAOYSA-N
XLogP2.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol?
The IUPAC name of 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol (CID 83855903) is 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol.
What is the SMILES notation for 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol?
The canonical SMILES for 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol is CN1CCC(C(F)c2ccccc2O)C1.
What is the InChIKey of 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol?
The InChIKey is DIDAZGYAUUTBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-14-7-6-9(8-14)12(13)10-4-2-3-5-11(10)15/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol?
2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol has a molecular weight of 209.26 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(1-methylpyrrolidin-3-yl)methyl]phenol is sourced from PubChem (CID 83855903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).