2-(6-chlorohexoxy)-1,3-difluorobenzene

C12H15ClF2O — CID 81268506

IUPAC2-(6-chlorohexoxy)-1,3-difluorobenzene
SMILESFc1cccc(F)c1OCCCCCCCl
InChIInChI=1S/C12H15ClF2O/c13-8-3-1-2-4-9-16-12-10(14)6-5-7-11(12)15/h5-7H,1-4,8-9H2
InChIKeyOWJHVTGSOOUCGB-UHFFFAOYSA-N
MW248.70 g/mol
LogP4.14
Rot. Bonds7

About 2-(6-chlorohexoxy)-1,3-difluorobenzene

2-(6-chlorohexoxy)-1,3-difluorobenzene (PubChem CID 81268506) has the molecular formula C12H15ClF2O and a molecular weight of 248.70 g/mol. Its IUPAC name is 2-(6-chlorohexoxy)-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(6-chlorohexoxy)-1,3-difluorobenzene
PubChem CID81268506
Molecular FormulaC12H15ClF2O
Molecular Weight248.70 g/mol
Exact Mass248.08
IUPAC Name2-(6-chlorohexoxy)-1,3-difluorobenzene
SMILESFc1cccc(F)c1OCCCCCCCl
InChIInChI=1S/C12H15ClF2O/c13-8-3-1-2-4-9-16-12-10(14)6-5-7-11(12)15/h5-7H,1-4,8-9H2
InChIKeyOWJHVTGSOOUCGB-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.70
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
3-(2,6-difluorophenoxy)propan-1-ol
CID 112728266
1,3-dichloro-2-(6-chlorohexoxy)benzene
CID 63499301
6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
3-(2,6-difluorophenoxy)-N-methylpropan-1-amine
CID 81269290
6-(2,6-difluorophenoxy)hexan-2-ol
CID 81269753
3-fluoro-2-hexoxyaniline
CID 104831272
1,3-difluoro-2-(fluoromethoxy)benzene
CID 140973526
5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride
CID 83053085

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorohexoxy)-1,3-difluorobenzene?
The IUPAC name of 2-(6-chlorohexoxy)-1,3-difluorobenzene (CID 81268506) is 2-(6-chlorohexoxy)-1,3-difluorobenzene.
What is the SMILES notation for 2-(6-chlorohexoxy)-1,3-difluorobenzene?
The canonical SMILES for 2-(6-chlorohexoxy)-1,3-difluorobenzene is Fc1cccc(F)c1OCCCCCCCl.
What is the InChIKey of 2-(6-chlorohexoxy)-1,3-difluorobenzene?
The InChIKey is OWJHVTGSOOUCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF2O/c13-8-3-1-2-4-9-16-12-10(14)6-5-7-11(12)15/h5-7H,1-4,8-9H2.
What are the key properties of 2-(6-chlorohexoxy)-1,3-difluorobenzene?
2-(6-chlorohexoxy)-1,3-difluorobenzene has a molecular weight of 248.70 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorohexoxy)-1,3-difluorobenzene is sourced from PubChem (CID 81268506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).