Carbonic acid;1-ethyl-2-fluorobenzene

Name: Carbonic acid;1-ethyl-2-fluorobenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₁FO₃ — CID 174964119

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACcarbonic acid;1-ethyl-2-fluorobenzene

SMILESCCc1ccccc1F.O=C(O)O

InChIInChI=1S/C8H9F.CH2O3/c1-2-7-5-3-4-6-8(7)9;2-1(3)4/h3-6H,2H2,1H3;(H2,2,3,4)

InChIKeyHEDFSYZSDBPKDG-UHFFFAOYSA-N

MW186.18 g/mol

LogP2.61

Rot. Bonds1

About Carbonic acid;1-ethyl-2-fluorobenzene

Carbonic acid;1-ethyl-2-fluorobenzene (PubChem CID 174964119) has the molecular formula C₉H₁₁FO₃ and a molecular weight of 186.18 g/mol. Its IUPAC name is carbonic acid;1-ethyl-2-fluorobenzene.

Molecular Properties

Compound Name	Carbonic acid;1-ethyl-2-fluorobenzene
PubChem CID	174964119
Molecular Formula	C₉H₁₁FO₃
Molecular Weight	186.18 g/mol
Exact Mass	186.07
IUPAC Name	carbonic acid;1-ethyl-2-fluorobenzene
SMILES	CCc1ccccc1F.O=C(O)O
InChI	InChI=1S/C8H9F.CH2O3/c1-2-7-5-3-4-6-8(7)9;2-1(3)4/h3-6H,2H2,1H3;(H2,2,3,4)
InChIKey	HEDFSYZSDBPKDG-UHFFFAOYSA-N
XLogP	2.61
TPSA	57.53 Å²
H-Bond Donors	2
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	186.18
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of Carbonic acid;1-ethyl-2-fluorobenzene?

The IUPAC name of Carbonic acid;1-ethyl-2-fluorobenzene (CID 174964119) is carbonic acid;1-ethyl-2-fluorobenzene.

What is the SMILES notation for Carbonic acid;1-ethyl-2-fluorobenzene?

The canonical SMILES for Carbonic acid;1-ethyl-2-fluorobenzene is CCc1ccccc1F.O=C(O)O.

What is the InChIKey of Carbonic acid;1-ethyl-2-fluorobenzene?

The InChIKey is HEDFSYZSDBPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.CH2O3/c1-2-7-5-3-4-6-8(7)9;2-1(3)4/h3-6H,2H2,1H3;(H2,2,3,4).

What are the key properties of Carbonic acid;1-ethyl-2-fluorobenzene?

Carbonic acid;1-ethyl-2-fluorobenzene has a molecular weight of 186.18 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Carbonic acid;1-ethyl-2-fluorobenzene is sourced from PubChem (CID 174964119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 174964119 — identifiers, structure, computed properties (public domain)

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