2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene

C16H23F3O — CID 155406083

IUPAC2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
SMILESCCCCC(CCCC)c1ccc(F)c(OC(F)F)c1
InChIInChI=1S/C16H23F3O/c1-3-5-7-12(8-6-4-2)13-9-10-14(17)15(11-13)20-16(18)19/h9-12,16H,3-8H2,1-2H3
InChIKeyAHWYOSQZLJWBJL-UHFFFAOYSA-N
MW288.35 g/mol
LogP5.89
Rot. Bonds9

About 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene

2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene (PubChem CID 155406083) has the molecular formula C16H23F3O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
PubChem CID155406083
Molecular FormulaC16H23F3O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
SMILESCCCCC(CCCC)c1ccc(F)c(OC(F)F)c1
InChIInChI=1S/C16H23F3O/c1-3-5-7-12(8-6-4-2)13-9-10-14(17)15(11-13)20-16(18)19/h9-12,16H,3-8H2,1-2H3
InChIKeyAHWYOSQZLJWBJL-UHFFFAOYSA-N
XLogP5.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.35
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
CID 143471834
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1-fluoro-4-octan-4-yl-2-(2,2,2-trifluoroethoxy)benzene
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CID 143471729
4-decan-3-yl-1,2-difluorobenzene
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1-fluoro-4-octan-4-ylbenzene
CID 70993007
1-(4-fluoro-3-methoxyphenyl)nonan-1-ol
CID 115783950
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
1-(2,5-difluorophenoxy)propan-1-amine;hydrochloride
CID 141001836
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene?
The IUPAC name of 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene (CID 155406083) is 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene.
What is the SMILES notation for 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene?
The canonical SMILES for 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene is CCCCC(CCCC)c1ccc(F)c(OC(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene?
The InChIKey is AHWYOSQZLJWBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3O/c1-3-5-7-12(8-6-4-2)13-9-10-14(17)15(11-13)20-16(18)19/h9-12,16H,3-8H2,1-2H3.
What are the key properties of 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene?
2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene has a molecular weight of 288.35 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene is sourced from PubChem (CID 155406083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).