[1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol

C11H14F2N2O — CID 121204088

IUPAC[1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESNc1ccccc1N1CC(F)(F)CC1CO
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-8(6-16)15(7-11)10-4-2-1-3-9(10)14/h1-4,8,16H,5-7,14H2
InChIKeyLQHYRXCVZXPOGG-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.48
Rot. Bonds2

About [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol

[1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol (PubChem CID 121204088) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol
PubChem CID121204088
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name[1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol
SMILESNc1ccccc1N1CC(F)(F)CC1CO
InChIInChI=1S/C11H14F2N2O/c12-11(13)5-8(6-16)15(7-11)10-4-2-1-3-9(10)14/h1-4,8,16H,5-7,14H2
InChIKeyLQHYRXCVZXPOGG-UHFFFAOYSA-N
XLogP1.48
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol?
The IUPAC name of [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol (CID 121204088) is [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol is Nc1ccccc1N1CC(F)(F)CC1CO.
What is the InChIKey of [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol?
The InChIKey is LQHYRXCVZXPOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-11(13)5-8(6-16)15(7-11)10-4-2-1-3-9(10)14/h1-4,8,16H,5-7,14H2.
What are the key properties of [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol?
[1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol has a molecular weight of 228.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminophenyl)-4,4-difluoropyrrolidin-2-yl]methanol is sourced from PubChem (CID 121204088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).