[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate

C17H16F2O2 — CID 54239490

IUPAC[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H16F2O2/c1-2-3-4-17(20)21-16-10-7-13(11-15(16)19)12-5-8-14(18)9-6-12/h5-11H,2-4H2,1H3
InChIKeyQOZIZAHINXHONB-UHFFFAOYSA-N
MW290.31 g/mol
LogP4.73
Rot. Bonds5

About [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate

[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate (PubChem CID 54239490) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate.

Molecular Properties

Compound Name[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate
PubChem CID54239490
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate
SMILESCCCCC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F
InChIInChI=1S/C17H16F2O2/c1-2-3-4-17(20)21-16-10-7-13(11-15(16)19)12-5-8-14(18)9-6-12/h5-11H,2-4H2,1H3
InChIKeyQOZIZAHINXHONB-UHFFFAOYSA-N
XLogP4.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-4-(4-fluorophenyl)phenyl] butanoate;[2-fluoro-4-(4-fluorophenyl)phenyl] propanoate
CID 23174129
[2-fluoro-4-(4-fluorophenyl)phenyl] 6-methyloctanoate
CID 54235978
[4-(2-decylpyrimidin-5-yl)-2-fluorophenyl] heptanoate
CID 15027168
[2-fluoro-4-(5-pentylpyrimidin-2-yl)phenyl] pentanoate
CID 19008379
[2-fluoro-4-(3-fluoro-4-octoxyphenyl)phenyl] propanoate
CID 54154987
(4-fluoro-2-nonanoyloxyphenyl) nonanoate
CID 142724563
[4-[3-fluoro-4-[(2S)-pentan-2-yl]oxyphenyl]phenyl] nonanoate
CID 14692481
[4-[3-fluoro-4-[(2S)-pentan-2-yl]oxyphenyl]phenyl] dodecanoate
CID 14692483
(3-bromo-2,4-difluorophenyl) pentanoate
CID 175420455
(2,4-difluorophenyl) propanoate
CID 18525986
(2,3,4,5-tetrafluorophenyl) pentanoate
CID 174399623
[4-(4-dodecanoyloxy-5-oxocyclohepta-1,3,6-trien-1-yl)-7-oxocyclohepta-1,3,5-trien-1-yl] dodecanoate
CID 101140709

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate?
The IUPAC name of [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate (CID 54239490) is [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate.
What is the SMILES notation for [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate?
The canonical SMILES for [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate is CCCCC(=O)Oc1ccc(-c2ccc(F)cc2)cc1F.
What is the InChIKey of [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate?
The InChIKey is QOZIZAHINXHONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c1-2-3-4-17(20)21-16-10-7-13(11-15(16)19)12-5-8-14(18)9-6-12/h5-11H,2-4H2,1H3.
What are the key properties of [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate?
[2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate has a molecular weight of 290.31 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-fluorophenyl)phenyl] pentanoate is sourced from PubChem (CID 54239490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).