2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol

C11H14FNO — CID 84720448

IUPAC2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol
SMILESCC1(F)CCNC1c1ccccc1O
InChIInChI=1S/C11H14FNO/c1-11(12)6-7-13-10(11)8-4-2-3-5-9(8)14/h2-5,10,13-14H,6-7H2,1H3
InChIKeyABWNXWJUGCECOX-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.15
Rot. Bonds1

About 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol

2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol (PubChem CID 84720448) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol
PubChem CID84720448
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol
SMILESCC1(F)CCNC1c1ccccc1O
InChIInChI=1S/C11H14FNO/c1-11(12)6-7-13-10(11)8-4-2-3-5-9(8)14/h2-5,10,13-14H,6-7H2,1H3
InChIKeyABWNXWJUGCECOX-UHFFFAOYSA-N
XLogP2.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol?
The IUPAC name of 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol (CID 84720448) is 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol.
What is the SMILES notation for 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol?
The canonical SMILES for 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol is CC1(F)CCNC1c1ccccc1O.
What is the InChIKey of 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol?
The InChIKey is ABWNXWJUGCECOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-11(12)6-7-13-10(11)8-4-2-3-5-9(8)14/h2-5,10,13-14H,6-7H2,1H3.
What are the key properties of 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol?
2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol has a molecular weight of 195.24 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3-methylpyrrolidin-2-yl)phenol is sourced from PubChem (CID 84720448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).