1-(difluoromethoxy)-3-octan-4-ylbenzene

C15H22F2O — CID 143471729

IUPAC1-(difluoromethoxy)-3-octan-4-ylbenzene
SMILESCCCCC(CCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2O/c1-3-5-8-12(7-4-2)13-9-6-10-14(11-13)18-15(16)17/h6,9-12,15H,3-5,7-8H2,1-2H3
InChIKeyGOUGTGMBOQTJFX-UHFFFAOYSA-N
MW256.34 g/mol
LogP5.36
Rot. Bonds8

About 1-(difluoromethoxy)-3-octan-4-ylbenzene

1-(difluoromethoxy)-3-octan-4-ylbenzene (PubChem CID 143471729) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-octan-4-ylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-octan-4-ylbenzene
PubChem CID143471729
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name1-(difluoromethoxy)-3-octan-4-ylbenzene
SMILESCCCCC(CCC)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H22F2O/c1-3-5-8-12(7-4-2)13-9-6-10-14(11-13)18-15(16)17/h6,9-12,15H,3-5,7-8H2,1-2H3
InChIKeyGOUGTGMBOQTJFX-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-propylpentan-1-amine
CID 115832874
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-[3-(difluoromethoxy)phenyl]-N-methylnonan-1-amine
CID 115835552
1-[3-(difluoromethoxy)phenyl]-N-propylbutan-1-amine
CID 114982290
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
3-octan-4-ylphenol
CID 54137408
1-[3-(difluoromethoxy)phenyl]propan-1-ol
CID 115787675
1-[(1R)-1-[3-(difluoromethoxy)phenyl]pentyl]piperazine;dihydrochloride
CID 171307865
2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
CID 155406083
methyl 3-octan-4-ylbenzoate
CID 155299316
(3-octan-4-ylphenyl)methanamine
CID 142098371
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-octan-4-ylbenzene?
The IUPAC name of 1-(difluoromethoxy)-3-octan-4-ylbenzene (CID 143471729) is 1-(difluoromethoxy)-3-octan-4-ylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-octan-4-ylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-3-octan-4-ylbenzene is CCCCC(CCC)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-octan-4-ylbenzene?
The InChIKey is GOUGTGMBOQTJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-3-5-8-12(7-4-2)13-9-6-10-14(11-13)18-15(16)17/h6,9-12,15H,3-5,7-8H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-3-octan-4-ylbenzene?
1-(difluoromethoxy)-3-octan-4-ylbenzene has a molecular weight of 256.34 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-octan-4-ylbenzene is sourced from PubChem (CID 143471729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).