4-ethyl-2-(3-fluorophenyl)octanoic acid

C16H23FO2 — CID 79440327

IUPAC4-ethyl-2-(3-fluorophenyl)octanoic acid
SMILESCCCCC(CC)CC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H23FO2/c1-3-5-7-12(4-2)10-15(16(18)19)13-8-6-9-14(17)11-13/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3,(H,18,19)
InChIKeyZILUISVNJWDQMH-UHFFFAOYSA-N
MW266.36 g/mol
LogP4.60
Rot. Bonds8

About 4-ethyl-2-(3-fluorophenyl)octanoic acid

4-ethyl-2-(3-fluorophenyl)octanoic acid (PubChem CID 79440327) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-ethyl-2-(3-fluorophenyl)octanoic acid.

Molecular Properties

Compound Name4-ethyl-2-(3-fluorophenyl)octanoic acid
PubChem CID79440327
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name4-ethyl-2-(3-fluorophenyl)octanoic acid
SMILESCCCCC(CC)CC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C16H23FO2/c1-3-5-7-12(4-2)10-15(16(18)19)13-8-6-9-14(17)11-13/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3,(H,18,19)
InChIKeyZILUISVNJWDQMH-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-phenylhexanoic acid
CID 81009184
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
1-[2-(chloromethyl)-4-ethyloctyl]-3-fluorobenzene
CID 66047696
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
2-(2-ethylhexylamino)-4-(3-fluoroanilino)-4-oxobutanoic acid
CID 18886235
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
N-[(2S)-2-ethylhexyl]-N'-(3-fluorophenyl)oxamide
CID 2291432
CID 87816852
CID 87816852
2-(2-ethylhexylamino)-N-(3-fluorophenyl)acetamide
CID 103601437
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
2-(3-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentanoic acid
CID 79440635

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-fluorophenyl)octanoic acid?
The IUPAC name of 4-ethyl-2-(3-fluorophenyl)octanoic acid (CID 79440327) is 4-ethyl-2-(3-fluorophenyl)octanoic acid.
What is the SMILES notation for 4-ethyl-2-(3-fluorophenyl)octanoic acid?
The canonical SMILES for 4-ethyl-2-(3-fluorophenyl)octanoic acid is CCCCC(CC)CC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 4-ethyl-2-(3-fluorophenyl)octanoic acid?
The InChIKey is ZILUISVNJWDQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-3-5-7-12(4-2)10-15(16(18)19)13-8-6-9-14(17)11-13/h6,8-9,11-12,15H,3-5,7,10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-2-(3-fluorophenyl)octanoic acid?
4-ethyl-2-(3-fluorophenyl)octanoic acid has a molecular weight of 266.36 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(3-fluorophenyl)octanoic acid is sourced from PubChem (CID 79440327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).