4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate

C20H24FO3- — CID 170686124

IUPAC4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
SMILESCC(C)C1(Oc2cc(C(=O)[O-])ccc2F)CC2CC1C1CCCC21
InChIInChI=1S/C20H25FO3/c1-11(2)20(10-13-8-16(20)15-5-3-4-14(13)15)24-18-9-12(19(22)23)6-7-17(18)21/h6-7,9,11,13-16H,3-5,8,10H2,1-2H3,(H,22,23)/p-1
InChIKeyGOAMEOVOYPDBIC-UHFFFAOYSA-M
MW331.41 g/mol
LogP3.42
Rot. Bonds4

About 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate

4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate (PubChem CID 170686124) has the molecular formula C20H24FO3- and a molecular weight of 331.41 g/mol. Its IUPAC name is 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate.

Molecular Properties

Compound Name4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
PubChem CID170686124
Molecular FormulaC20H24FO3-
Molecular Weight331.41 g/mol
Exact Mass331.17
IUPAC Name4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
SMILESCC(C)C1(Oc2cc(C(=O)[O-])ccc2F)CC2CC1C1CCCC21
InChIInChI=1S/C20H25FO3/c1-11(2)20(10-13-8-16(20)15-5-3-4-14(13)15)24-18-9-12(19(22)23)6-7-17(18)21/h6-7,9,11,13-16H,3-5,8,10H2,1-2H3,(H,22,23)/p-1
InChIKeyGOAMEOVOYPDBIC-UHFFFAOYSA-M
XLogP3.42
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate with MolForge

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Related Compounds

4-nitro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate
CID 170686481
phenyl 3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]-4-(trifluoromethoxy)benzoate
CID 177111843
3-[(4-ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxy]-4-fluorobenzoate
CID 170686601
3-[1-(1-adamantylmethoxy)ethoxy]-4-fluorobenzoate
CID 170686646
(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl) bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 20681966
lithium 4-fluoro-3-methylsulfanylbenzoate
CID 23704329
3-(cyclohexyloxymethoxy)-4-fluorobenzoate
CID 170685986
3-[2-(2-adamantyloxy)propan-2-yloxy]-4-fluorobenzoate
CID 170686034
2-[3-[(4-propan-2-yl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)oxy]-4-(trifluoromethyl)benzoyl]oxyethanesulfonate
CID 177111281
2,2-difluoro-4-methyl-3-[4-[(8-methyl-8-tricyclo[5.2.1.02,6]decanyl)oxycarbonyloxy]benzoyl]oxypentanoic acid
CID 156684933
phenyl 4-fluoro-3-[(4-propan-2-yl-10-thiatricyclo[5.2.1.02,6]decan-4-yl)oxy]benzoate
CID 177111138
3-(1-propan-2-ylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
CID 170686014

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
The IUPAC name of 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate (CID 170686124) is 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate.
What is the SMILES notation for 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
The canonical SMILES for 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate is CC(C)C1(Oc2cc(C(=O)[O-])ccc2F)CC2CC1C1CCCC21.
What is the InChIKey of 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
The InChIKey is GOAMEOVOYPDBIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H25FO3/c1-11(2)20(10-13-8-16(20)15-5-3-4-14(13)15)24-18-9-12(19(22)23)6-7-17(18)21/h6-7,9,11,13-16H,3-5,8,10H2,1-2H3,(H,22,23)/p-1.
What are the key properties of 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate?
4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate has a molecular weight of 331.41 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]benzoate is sourced from PubChem (CID 170686124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).