4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate

C18H20FO3- — CID 170685938

IUPAC4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
SMILESCC1(Oc2cc(C(=O)[O-])ccc2F)CC2CC1C1CCCC21
InChIInChI=1S/C18H21FO3/c1-18(9-11-7-14(18)13-4-2-3-12(11)13)22-16-8-10(17(20)21)5-6-15(16)19/h5-6,8,11-14H,2-4,7,9H2,1H3,(H,20,21)/p-1
InChIKeyCGTDAVKPTYDZQT-UHFFFAOYSA-M
MW303.35 g/mol
LogP2.78
Rot. Bonds3

About 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate

4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate (PubChem CID 170685938) has the molecular formula C18H20FO3- and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate.

Molecular Properties

Compound Name4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
PubChem CID170685938
Molecular FormulaC18H20FO3-
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC Name4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
SMILESCC1(Oc2cc(C(=O)[O-])ccc2F)CC2CC1C1CCCC21
InChIInChI=1S/C18H21FO3/c1-18(9-11-7-14(18)13-4-2-3-12(11)13)22-16-8-10(17(20)21)5-6-15(16)19/h5-6,8,11-14H,2-4,7,9H2,1H3,(H,20,21)/p-1
InChIKeyCGTDAVKPTYDZQT-UHFFFAOYSA-M
XLogP2.78
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate with MolForge

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Related Compounds

[3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 58049005
[3-(Trifluoromethyl)phenyl] 6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carboxylate
CID 68211725
1-(4-Fluorophenyl)-2,3-dihydro-3-oxo-1H-inden-5-yl acetate
CID 70310549
1-(2-Fluorophenyl)-2,3-dihydro-3-oxo-1H-inden-5-yl acetate
CID 70312896
1-(3-Fluorophenyl)-2,3-dihydro-3-oxo-1H-inden-5-yl acetate
CID 70315599
methyl 3-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-5-fluorobenzoate
CID 70660920
ethyl 5-[[(1R,5S)-3-bicyclo[3.2.1]octanyl]oxy]-2-fluorobenzoate
CID 70660925
[3-[3-(4-Fluorophenyl)prop-2-enoyl]phenyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 76672903
(7-Iodo-1,7-dimethyl-2-bicyclo[2.2.1]heptanyl) 4-fluoro-3-methoxybenzoate
CID 122432438
(7-Iodo-1-methyl-2-bicyclo[2.2.1]heptanyl) 4-fluoro-3-methoxybenzoate
CID 122432784
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 4-fluoro-3-methoxybenzoate
CID 134463754
(1,7-Dimethyl-2-bicyclo[2.2.1]heptanyl) 4-fluoro-3-methoxybenzoate
CID 134467380

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
The IUPAC name of 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate (CID 170685938) is 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate.
What is the SMILES notation for 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
The canonical SMILES for 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate is CC1(Oc2cc(C(=O)[O-])ccc2F)CC2CC1C1CCCC21.
What is the InChIKey of 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
The InChIKey is CGTDAVKPTYDZQT-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21FO3/c1-18(9-11-7-14(18)13-4-2-3-12(11)13)22-16-8-10(17(20)21)5-6-15(16)19/h5-6,8,11-14H,2-4,7,9H2,1H3,(H,20,21)/p-1.
What are the key properties of 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate has a molecular weight of 303.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate is sourced from PubChem (CID 170685938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).