5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene

C15H21ClF2O — CID 79887959

IUPAC5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene
SMILESCCCCC(CC)COc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H21ClF2O/c1-3-5-6-11(4-2)10-19-15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyOLZHUYNWOLRJIS-UHFFFAOYSA-N
MW290.78 g/mol
LogP5.30
Rot. Bonds8

About 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene

5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene (PubChem CID 79887959) has the molecular formula C15H21ClF2O and a molecular weight of 290.78 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene
PubChem CID79887959
Molecular FormulaC15H21ClF2O
Molecular Weight290.78 g/mol
Exact Mass290.12
IUPAC Name5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene
SMILESCCCCC(CC)COc1c(F)cc(CCl)cc1F
InChIInChI=1S/C15H21ClF2O/c1-3-5-6-11(4-2)10-19-15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyOLZHUYNWOLRJIS-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.78
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-(chloromethyl)-1-(2-ethylhexoxy)benzene
CID 55224763
1,2,3,4,5-pentakis(2-ethylhexoxy)benzene
CID 90923356
4-(2-ethylhexoxy)-2-fluoro-1-methylbenzene
CID 107171247
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
[4-(2-ethylhexoxy)-3,5-dimethylphenyl]methanamine
CID 55191930
4-(chloromethyl)-1-(2-ethylbutoxy)-2-fluorobenzene
CID 107691391
6-(2-ethylhexoxy)-3,5-difluoropyridin-2-amine
CID 114072964
1-[4-(2-ethylhexoxy)-2-fluorophenyl]-N-methylethanamine
CID 107716594
1,2-dibromo-4,5-bis(2-ethylhexoxy)benzene
CID 71351015
4-(2-ethylbutoxy)-3,5-difluorobenzenesulfonyl chloride
CID 82927491
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene?
The IUPAC name of 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene (CID 79887959) is 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene.
What is the SMILES notation for 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene?
The canonical SMILES for 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene is CCCCC(CC)COc1c(F)cc(CCl)cc1F.
What is the InChIKey of 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene?
The InChIKey is OLZHUYNWOLRJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF2O/c1-3-5-6-11(4-2)10-19-15-13(17)7-12(9-16)8-14(15)18/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene?
5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene has a molecular weight of 290.78 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(2-ethylhexoxy)-1,3-difluorobenzene is sourced from PubChem (CID 79887959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).