1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol

C9H12FNO — CID 67900911

IUPAC1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol
SMILESOC(F)(Cc1ccc[nH]1)C1CC1
InChIInChI=1S/C9H12FNO/c10-9(12,7-3-4-7)6-8-2-1-5-11-8/h1-2,5,7,11-12H,3-4,6H2
InChIKeyYWXIGQZPXPRDEP-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.63
Rot. Bonds3

About 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol

1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol (PubChem CID 67900911) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol
PubChem CID67900911
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol
SMILESOC(F)(Cc1ccc[nH]1)C1CC1
InChIInChI=1S/C9H12FNO/c10-9(12,7-3-4-7)6-8-2-1-5-11-8/h1-2,5,7,11-12H,3-4,6H2
InChIKeyYWXIGQZPXPRDEP-UHFFFAOYSA-N
XLogP1.63
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol?
The IUPAC name of 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol (CID 67900911) is 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol is OC(F)(Cc1ccc[nH]1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol?
The InChIKey is YWXIGQZPXPRDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c10-9(12,7-3-4-7)6-8-2-1-5-11-8/h1-2,5,7,11-12H,3-4,6H2.
What are the key properties of 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol?
1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol has a molecular weight of 169.20 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-fluoro-2-(1H-pyrrol-2-yl)ethanol is sourced from PubChem (CID 67900911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).