4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene

C13H18ClFO — CID 83937874

IUPAC4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCF
InChIInChI=1S/C13H18ClFO/c1-4-16-12-8-9(2)13(14)10(3)11(12)6-5-7-15/h8H,4-7H2,1-3H3
InChIKeyOQDAIUACXVWYRG-UHFFFAOYSA-N
MW244.74 g/mol
LogP4.26
Rot. Bonds5

About 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene

4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene (PubChem CID 83937874) has the molecular formula C13H18ClFO and a molecular weight of 244.74 g/mol. Its IUPAC name is 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene.

Molecular Properties

Compound Name4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene
PubChem CID83937874
Molecular FormulaC13H18ClFO
Molecular Weight244.74 g/mol
Exact Mass244.10
IUPAC Name4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene
SMILESCCOc1cc(C)c(Cl)c(C)c1CCCF
InChIInChI=1S/C13H18ClFO/c1-4-16-12-8-9(2)13(14)10(3)11(12)6-5-7-15/h8H,4-7H2,1-3H3
InChIKeyOQDAIUACXVWYRG-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene?
The IUPAC name of 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene (CID 83937874) is 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene.
What is the SMILES notation for 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene?
The canonical SMILES for 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene is CCOc1cc(C)c(Cl)c(C)c1CCCF.
What is the InChIKey of 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene?
The InChIKey is OQDAIUACXVWYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFO/c1-4-16-12-8-9(2)13(14)10(3)11(12)6-5-7-15/h8H,4-7H2,1-3H3.
What are the key properties of 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene?
4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene has a molecular weight of 244.74 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethoxy-2-(3-fluoropropyl)-3,5-dimethylbenzene is sourced from PubChem (CID 83937874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).