1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene

Name: 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₀BrFO — CID 103988445

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

IUPAC1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene

SMILESC=C(Br)COc1cccc(C)c1F

InChIInChI=1S/C10H10BrFO/c1-7-4-3-5-9(10(7)12)13-6-8(2)11/h3-5H,2,6H2,1H3

InChIKeyAUHGFLFAZBFTFL-UHFFFAOYSA-N

MW245.09 g/mol

LogP3.42

Rot. Bonds3

About 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene

1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene (PubChem CID 103988445) has the molecular formula C₁₀H₁₀BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name	1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
PubChem CID	103988445
Molecular Formula	C₁₀H₁₀BrFO
Molecular Weight	245.09 g/mol
Exact Mass	243.99
IUPAC Name	1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene
SMILES	C=C(Br)COc1cccc(C)c1F
InChI	InChI=1S/C10H10BrFO/c1-7-4-3-5-9(10(7)12)13-6-8(2)11/h3-5H,2,6H2,1H3
InChIKey	AUHGFLFAZBFTFL-UHFFFAOYSA-N
XLogP	3.42
TPSA	9.23 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.09
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?

The IUPAC name of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene (CID 103988445) is 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene.

What is the SMILES notation for 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?

The canonical SMILES for 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene is C=C(Br)COc1cccc(C)c1F.

What is the InChIKey of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?

The InChIKey is AUHGFLFAZBFTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-7-4-3-5-9(10(7)12)13-6-8(2)11/h3-5H,2,6H2,1H3.

What are the key properties of 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene?

1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene has a molecular weight of 245.09 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bromoprop-2-enoxy)-2-fluoro-3-methylbenzene is sourced from PubChem (CID 103988445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 103988445 — identifiers, structure, computed properties (public domain)

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