2-(3,3-difluoropyrrolidin-2-yl)phenol

C10H11F2NO — CID 84721047

IUPAC2-(3,3-difluoropyrrolidin-2-yl)phenol
SMILESOc1ccccc1C1NCCC1(F)F
InChIInChI=1S/C10H11F2NO/c11-10(12)5-6-13-9(10)7-3-1-2-4-8(7)14/h1-4,9,13-14H,5-6H2
InChIKeyBAWJFNXIMONEOF-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.06
Rot. Bonds1

About 2-(3,3-difluoropyrrolidin-2-yl)phenol

2-(3,3-difluoropyrrolidin-2-yl)phenol (PubChem CID 84721047) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-2-yl)phenol.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-2-yl)phenol
PubChem CID84721047
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name2-(3,3-difluoropyrrolidin-2-yl)phenol
SMILESOc1ccccc1C1NCCC1(F)F
InChIInChI=1S/C10H11F2NO/c11-10(12)5-6-13-9(10)7-3-1-2-4-8(7)14/h1-4,9,13-14H,5-6H2
InChIKeyBAWJFNXIMONEOF-UHFFFAOYSA-N
XLogP2.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.06
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-(3,3-difluoropyrrolidin-2-yl)phenol?
The IUPAC name of 2-(3,3-difluoropyrrolidin-2-yl)phenol (CID 84721047) is 2-(3,3-difluoropyrrolidin-2-yl)phenol.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-2-yl)phenol?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-2-yl)phenol is Oc1ccccc1C1NCCC1(F)F.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-2-yl)phenol?
The InChIKey is BAWJFNXIMONEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-10(12)5-6-13-9(10)7-3-1-2-4-8(7)14/h1-4,9,13-14H,5-6H2.
What are the key properties of 2-(3,3-difluoropyrrolidin-2-yl)phenol?
2-(3,3-difluoropyrrolidin-2-yl)phenol has a molecular weight of 199.20 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-2-yl)phenol is sourced from PubChem (CID 84721047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).