2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol

C9H18FNO — CID 105436241

IUPAC2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol
SMILESCC(C)N1CCC(C(F)CO)C1
InChIInChI=1S/C9H18FNO/c1-7(2)11-4-3-8(5-11)9(10)6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyBJJBKUVGXNAZHU-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds3

About 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol

2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol (PubChem CID 105436241) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol
PubChem CID105436241
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol
SMILESCC(C)N1CCC(C(F)CO)C1
InChIInChI=1S/C9H18FNO/c1-7(2)11-4-3-8(5-11)9(10)6-12/h7-9,12H,3-6H2,1-2H3
InChIKeyBJJBKUVGXNAZHU-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The IUPAC name of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol (CID 105436241) is 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The canonical SMILES for 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol is CC(C)N1CCC(C(F)CO)C1.
What is the InChIKey of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
The InChIKey is BJJBKUVGXNAZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-7(2)11-4-3-8(5-11)9(10)6-12/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol?
2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol is sourced from PubChem (CID 105436241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).