1,2-difluoro-3-(3-methoxybutoxy)benzene

C11H14F2O2 — CID 90941481

IUPAC1,2-difluoro-3-(3-methoxybutoxy)benzene
SMILESCOC(C)CCOc1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-8(14-2)6-7-15-10-5-3-4-9(12)11(10)13/h3-5,8H,6-7H2,1-2H3
InChIKeyDBTHRCQANDCQOB-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.77
Rot. Bonds5

About 1,2-difluoro-3-(3-methoxybutoxy)benzene

1,2-difluoro-3-(3-methoxybutoxy)benzene (PubChem CID 90941481) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1,2-difluoro-3-(3-methoxybutoxy)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(3-methoxybutoxy)benzene
PubChem CID90941481
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1,2-difluoro-3-(3-methoxybutoxy)benzene
SMILESCOC(C)CCOc1cccc(F)c1F
InChIInChI=1S/C11H14F2O2/c1-8(14-2)6-7-15-10-5-3-4-9(12)11(10)13/h3-5,8H,6-7H2,1-2H3
InChIKeyDBTHRCQANDCQOB-UHFFFAOYSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
4-(2,3-difluorophenoxy)butoxyphosphane
CID 59036591
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
1-dodecoxy-2,3-difluorobenzene
CID 15854521
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
CID 175374084
CID 175374084
N-[2-(2,3-difluorophenoxy)ethyl]-2-methoxyethanamine
CID 63037352
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
1-(2,3-difluorophenyl)-4-methoxypentan-1-ol
CID 105099608
2-(2,3-difluorophenoxy)-1-(2-methoxyphenyl)ethanamine
CID 63038149

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(3-methoxybutoxy)benzene?
The IUPAC name of 1,2-difluoro-3-(3-methoxybutoxy)benzene (CID 90941481) is 1,2-difluoro-3-(3-methoxybutoxy)benzene.
What is the SMILES notation for 1,2-difluoro-3-(3-methoxybutoxy)benzene?
The canonical SMILES for 1,2-difluoro-3-(3-methoxybutoxy)benzene is COC(C)CCOc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(3-methoxybutoxy)benzene?
The InChIKey is DBTHRCQANDCQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-8(14-2)6-7-15-10-5-3-4-9(12)11(10)13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1,2-difluoro-3-(3-methoxybutoxy)benzene?
1,2-difluoro-3-(3-methoxybutoxy)benzene has a molecular weight of 216.23 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(3-methoxybutoxy)benzene is sourced from PubChem (CID 90941481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).