1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene

Name: 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₉F — CID 155712803

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

IUPAC1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene

SMILESCCC.CCc1cccc(F)c1C.Cc1ccc(C)cc1

InChIInChI=1S/C9H11F.C8H10.C3H8/c1-3-8-5-4-6-9(10)7(8)2;1-7-3-5-8(2)6-4-7;1-3-2/h4-6H,3H2,1-2H3;3-6H,1-2H3;3H2,1-2H3

InChIKeyCRSMDVKNFGLUOY-UHFFFAOYSA-N

MW288.45 g/mol

LogP6.42

Rot. Bonds1

About 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene

1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene (PubChem CID 155712803) has the molecular formula C₂₀H₂₉F and a molecular weight of 288.45 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene.

Molecular Properties

Compound Name	1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
PubChem CID	155712803
Molecular Formula	C₂₀H₂₉F
Molecular Weight	288.45 g/mol
Exact Mass	288.23
IUPAC Name	1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene
SMILES	CCC.CCc1cccc(F)c1C.Cc1ccc(C)cc1
InChI	InChI=1S/C9H11F.C8H10.C3H8/c1-3-8-5-4-6-9(10)7(8)2;1-7-3-5-8(2)6-4-7;1-3-2/h4-6H,3H2,1-2H3;3-6H,1-2H3;3H2,1-2H3
InChIKey	CRSMDVKNFGLUOY-UHFFFAOYSA-N
XLogP	6.42
TPSA	0.00 Å²
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds	1
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	288.45
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene?

The IUPAC name of 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene (CID 155712803) is 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene.

What is the SMILES notation for 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene?

The canonical SMILES for 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene is CCC.CCc1cccc(F)c1C.Cc1ccc(C)cc1.

What is the InChIKey of 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene?

The InChIKey is CRSMDVKNFGLUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C8H10.C3H8/c1-3-8-5-4-6-9(10)7(8)2;1-7-3-5-8(2)6-4-7;1-3-2/h4-6H,3H2,1-2H3;3-6H,1-2H3;3H2,1-2H3.

What are the key properties of 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene?

1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene has a molecular weight of 288.45 g/mol, XLogP of 6.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-fluoro-2-methylbenzene;propane;1,4-xylene is sourced from PubChem (CID 155712803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155712803 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.