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

C14H19F3O — CID 57225933

IUPAC1,2-difluoro-3-(2-fluorooctoxy)benzene
SMILESCCCCCCC(F)COc1cccc(F)c1F
InChIInChI=1S/C14H19F3O/c1-2-3-4-5-7-11(15)10-18-13-9-6-8-12(16)14(13)17/h6,8-9,11H,2-5,7,10H2,1H3
InChIKeyBATURWCGWMKJJS-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.65
Rot. Bonds8

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

1,2-difluoro-3-(2-fluorooctoxy)benzene (PubChem CID 57225933) has the molecular formula C14H19F3O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-fluorooctoxy)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-fluorooctoxy)benzene
PubChem CID57225933
Molecular FormulaC14H19F3O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1,2-difluoro-3-(2-fluorooctoxy)benzene
SMILESCCCCCCC(F)COc1cccc(F)c1F
InChIInChI=1S/C14H19F3O/c1-2-3-4-5-7-11(15)10-18-13-9-6-8-12(16)14(13)17/h6,8-9,11H,2-5,7,10H2,1H3
InChIKeyBATURWCGWMKJJS-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecoxy-2,3-difluorobenzene
CID 15854521
1-(2,3-difluorophenoxy)-N-methylpentan-2-amine
CID 63038671
4-(2-fluorooctoxy)phenol
CID 14401559
[2-(2-fluorononoxy)phenyl]methyl-triphenylphosphanium bromide
CID 19870914
1-[(2S)-2-fluorooctoxy]-4-(4-octoxyphenyl)benzene
CID 22844425
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
3-[2-(2-fluoropentadecoxy)phenyl]prop-2-ynoic acid
CID 54293761
N-tert-butyl-1-[2-(2-fluorooctoxy)phenyl]methanimine oxide
CID 87949828
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
2-[(2,3-difluorophenoxy)methyl]butane-1-sulfonamide
CID 64998716
1-(4-decoxyphenyl)-2,3-difluoro-4-[4-[(2R)-2-fluorooctoxy]phenyl]benzene
CID 101044437

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-fluorooctoxy)benzene?
The IUPAC name of 1,2-difluoro-3-(2-fluorooctoxy)benzene (CID 57225933) is 1,2-difluoro-3-(2-fluorooctoxy)benzene.
What is the SMILES notation for 1,2-difluoro-3-(2-fluorooctoxy)benzene?
The canonical SMILES for 1,2-difluoro-3-(2-fluorooctoxy)benzene is CCCCCCC(F)COc1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-fluorooctoxy)benzene?
The InChIKey is BATURWCGWMKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O/c1-2-3-4-5-7-11(15)10-18-13-9-6-8-12(16)14(13)17/h6,8-9,11H,2-5,7,10H2,1H3.
What are the key properties of 1,2-difluoro-3-(2-fluorooctoxy)benzene?
1,2-difluoro-3-(2-fluorooctoxy)benzene has a molecular weight of 260.30 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-fluorooctoxy)benzene is sourced from PubChem (CID 57225933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).