(2-fluorophenyl)-(1H-pyrrol-3-yl)methanone

C11H8FNO — CID 16740464

IUPAC(2-fluorophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1ccccc1F
InChIInChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11(14)8-5-6-13-7-8/h1-7,13H
InChIKeyPNCPLSQYXAEWCK-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.38
Rot. Bonds2

About (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone

(2-fluorophenyl)-(1H-pyrrol-3-yl)methanone (PubChem CID 16740464) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(1H-pyrrol-3-yl)methanone
PubChem CID16740464
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name(2-fluorophenyl)-(1H-pyrrol-3-yl)methanone
SMILESO=C(c1cc[nH]c1)c1ccccc1F
InChIInChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11(14)8-5-6-13-7-8/h1-7,13H
InChIKeyPNCPLSQYXAEWCK-UHFFFAOYSA-N
XLogP2.38
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone (CID 16740464) is (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone is O=C(c1cc[nH]c1)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
The InChIKey is PNCPLSQYXAEWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-10-4-2-1-3-9(10)11(14)8-5-6-13-7-8/h1-7,13H.
What are the key properties of (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone?
(2-fluorophenyl)-(1H-pyrrol-3-yl)methanone has a molecular weight of 189.19 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 16740464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).