1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene

C11H10F6O — CID 141301748

IUPAC1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
SMILESFc1cccc(OCCCC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C11H10F6O/c12-8-3-1-4-9(7-8)18-6-2-5-10(13,14)11(15,16)17/h1,3-4,7H,2,5-6H2
InChIKeySJXJMBIJKZZIHT-UHFFFAOYSA-N
MW272.19 g/mol
LogP4.18
Rot. Bonds5

About 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene

1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene (PubChem CID 141301748) has the molecular formula C11H10F6O and a molecular weight of 272.19 g/mol. Its IUPAC name is 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene.

Molecular Properties

Compound Name1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
PubChem CID141301748
Molecular FormulaC11H10F6O
Molecular Weight272.19 g/mol
Exact Mass272.06
IUPAC Name1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene
SMILESFc1cccc(OCCCC(F)(F)C(F)(F)F)c1
InChIInChI=1S/C11H10F6O/c12-8-3-1-4-9(7-8)18-6-2-5-10(13,14)11(15,16)17/h1,3-4,7H,2,5-6H2
InChIKeySJXJMBIJKZZIHT-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 59667496
5-(3-fluorophenoxy)-2,2-dimethylpentanenitrile
CID 65255391
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CID 65255314
2-(3-fluorophenoxy)ethanethiol
CID 79002331
1-(5-bromopentoxy)-3-fluorobenzene
CID 14575315
1-fluoro-3-pent-4-enoxybenzene
CID 64764365
2-amino-4-(3-fluorophenoxy)-2-methylbutan-1-ol
CID 64804560
4-[3-(3-fluorophenoxy)propoxy]benzonitrile
CID 43289409
6-(3-fluorophenoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 64804186
[4-[2-(3-fluorophenoxy)ethoxy]phenyl]methanamine
CID 43254110
4-(4,4,5,5,5-pentafluoropentoxy)benzonitrile
CID 98041773
4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononoxybenzene
CID 86232636

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene?
The IUPAC name of 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene (CID 141301748) is 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene.
What is the SMILES notation for 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene?
The canonical SMILES for 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene is Fc1cccc(OCCCC(F)(F)C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene?
The InChIKey is SJXJMBIJKZZIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6O/c12-8-3-1-4-9(7-8)18-6-2-5-10(13,14)11(15,16)17/h1,3-4,7H,2,5-6H2.
What are the key properties of 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene?
1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene has a molecular weight of 272.19 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4,4,5,5,5-pentafluoropentoxy)benzene is sourced from PubChem (CID 141301748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).