4-[(1-fluorocyclooctyl)methyl]benzoic acid

C16H21FO2 — CID 144590205

IUPAC4-[(1-fluorocyclooctyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2(F)CCCCCCC2)cc1
InChIInChI=1S/C16H21FO2/c17-16(10-4-2-1-3-5-11-16)12-13-6-8-14(9-7-13)15(18)19/h6-9H,1-5,10-12H2,(H,18,19)
InChIKeyIMUDCBPVYHWRMD-UHFFFAOYSA-N
MW264.34 g/mol
LogP4.38
Rot. Bonds3

About 4-[(1-fluorocyclooctyl)methyl]benzoic acid

4-[(1-fluorocyclooctyl)methyl]benzoic acid (PubChem CID 144590205) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-[(1-fluorocyclooctyl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(1-fluorocyclooctyl)methyl]benzoic acid
PubChem CID144590205
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name4-[(1-fluorocyclooctyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(CC2(F)CCCCCCC2)cc1
InChIInChI=1S/C16H21FO2/c17-16(10-4-2-1-3-5-11-16)12-13-6-8-14(9-7-13)15(18)19/h6-9H,1-5,10-12H2,(H,18,19)
InChIKeyIMUDCBPVYHWRMD-UHFFFAOYSA-N
XLogP4.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1-fluorocyclobutyl)methyl]benzoic acid
CID 84722629
1-[4-[(1-fluorocyclohexyl)methyl]phenyl]ethanone
CID 84726990
4-[(3-fluoropiperidin-3-yl)methyl]benzoic acid
CID 105498925
4-[(3-fluorooxolan-3-yl)methyl]benzoic acid
CID 84725441
1-bromo-4-[(1-fluorocyclohexyl)methyl]benzene
CID 84730092
1-[(1-fluorocyclohexyl)methyl]-4-methylbenzene
CID 84722324
1-fluoro-4-[(1-fluorocyclopentyl)methyl]benzene
CID 84720734
4-[[2-(1-fluorocyclobutyl)ethylamino]methyl]benzoic acid
CID 122034405
[4-[(1-fluorocyclopentyl)methyl]phenyl]methanamine
CID 84722437
4-[(1-fluorocyclopentyl)methyl]benzaldehyde
CID 84722284
cyclopropane;4-(hydroxymethyl)benzoic acid
CID 67743038
4-(3-azaspiro[5.5]undecan-3-ylmethyl)benzoic acid
CID 62935868

Frequently Asked Questions

What is the IUPAC name of 4-[(1-fluorocyclooctyl)methyl]benzoic acid?
The IUPAC name of 4-[(1-fluorocyclooctyl)methyl]benzoic acid (CID 144590205) is 4-[(1-fluorocyclooctyl)methyl]benzoic acid.
What is the SMILES notation for 4-[(1-fluorocyclooctyl)methyl]benzoic acid?
The canonical SMILES for 4-[(1-fluorocyclooctyl)methyl]benzoic acid is O=C(O)c1ccc(CC2(F)CCCCCCC2)cc1.
What is the InChIKey of 4-[(1-fluorocyclooctyl)methyl]benzoic acid?
The InChIKey is IMUDCBPVYHWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO2/c17-16(10-4-2-1-3-5-11-16)12-13-6-8-14(9-7-13)15(18)19/h6-9H,1-5,10-12H2,(H,18,19).
What are the key properties of 4-[(1-fluorocyclooctyl)methyl]benzoic acid?
4-[(1-fluorocyclooctyl)methyl]benzoic acid has a molecular weight of 264.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-fluorocyclooctyl)methyl]benzoic acid is sourced from PubChem (CID 144590205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).