KKMFTFGRVDYTCN-UHFFFAOYSA-N

C₁₀H₈FNO — CID 64792617

About KKMFTFGRVDYTCN-UHFFFAOYSA-N

KKMFTFGRVDYTCN-UHFFFAOYSA-N (PubChem CID 64792617) has the molecular formula C₁₀H₈FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-fluoro-4-pyrrol-1-ylphenol.

Molecular Properties

• Compound Name: KKMFTFGRVDYTCN-UHFFFAOYSA-N
• PubChem CID: 64792617
• Molecular Formula: C₁₀H₈FNO
• Molecular Weight: 177.18 g/mol
• Exact Mass: 177.06
• IUPAC Name: 2-fluoro-4-pyrrol-1-ylphenol
• SMILES: Oc1ccc(-n2cccc2)cc1F
• InChI: InChI=1S/C10H8FNO/c11-9-7-8(3-4-10(9)13)12-5-1-2-6-12/h1-7,13H
• InChIKey: KKMFTFGRVDYTCN-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 25.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	177.18
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of KKMFTFGRVDYTCN-UHFFFAOYSA-N?

The IUPAC name of KKMFTFGRVDYTCN-UHFFFAOYSA-N (CID 64792617) is 2-fluoro-4-pyrrol-1-ylphenol.

What is the SMILES notation for KKMFTFGRVDYTCN-UHFFFAOYSA-N?

The canonical SMILES for KKMFTFGRVDYTCN-UHFFFAOYSA-N is Oc1ccc(-n2cccc2)cc1F.

What is the InChIKey of KKMFTFGRVDYTCN-UHFFFAOYSA-N?

The InChIKey is KKMFTFGRVDYTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c11-9-7-8(3-4-10(9)13)12-5-1-2-6-12/h1-7,13H.

What are the key properties of KKMFTFGRVDYTCN-UHFFFAOYSA-N?

KKMFTFGRVDYTCN-UHFFFAOYSA-N has a molecular weight of 177.18 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for KKMFTFGRVDYTCN-UHFFFAOYSA-N is sourced from PubChem (CID 64792617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 64792617 — identifiers, structure, computed properties (public domain)

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