(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone

C14H10FNO — CID 155907347

IUPAC(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone
SMILESC#CCn1cccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO/c1-2-9-16-10-3-4-13(16)14(17)11-5-7-12(15)8-6-11/h1,3-8,10H,9H2
InChIKeyDFWNDEMXRQRIQC-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.49
Rot. Bonds3

About (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone

(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone (PubChem CID 155907347) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone
PubChem CID155907347
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone
SMILESC#CCn1cccc1C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H10FNO/c1-2-9-16-10-3-4-13(16)14(17)11-5-7-12(15)8-6-11/h1,3-8,10H,9H2
InChIKeyDFWNDEMXRQRIQC-UHFFFAOYSA-N
XLogP2.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone (CID 155907347) is (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone is C#CCn1cccc1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone?
The InChIKey is DFWNDEMXRQRIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-2-9-16-10-3-4-13(16)14(17)11-5-7-12(15)8-6-11/h1,3-8,10H,9H2.
What are the key properties of (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone?
(4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone has a molecular weight of 227.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-prop-2-ynylpyrrol-2-yl)methanone is sourced from PubChem (CID 155907347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).