[1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate

C20H22F2O2 — CID 91384660

IUPAC[1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate
SMILESCc1ccc(C23CC4CC5(OC(=O)C(C)(F)F)CC(C2)C45C3)cc1
InChIInChI=1S/C20H22F2O2/c1-12-3-5-13(6-4-12)18-7-14-9-19(24-16(23)17(2,21)22)10-15(8-18)20(14,19)11-18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyGYDUZVUKAFCJHL-UHFFFAOYSA-N
MW332.39 g/mol
LogP4.39
Rot. Bonds3

About [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate

[1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate (PubChem CID 91384660) has the molecular formula C20H22F2O2 and a molecular weight of 332.39 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate
PubChem CID91384660
Molecular FormulaC20H22F2O2
Molecular Weight332.39 g/mol
Exact Mass332.16
IUPAC Name[1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate
SMILESCc1ccc(C23CC4CC5(OC(=O)C(C)(F)F)CC(C2)C45C3)cc1
InChIInChI=1S/C20H22F2O2/c1-12-3-5-13(6-4-12)18-7-14-9-19(24-16(23)17(2,21)22)10-15(8-18)20(14,19)11-18/h3-6,14-15H,7-11H2,1-2H3
InChIKeyGYDUZVUKAFCJHL-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate with MolForge

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Related Compounds

2-[4-(4-Fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636550
[5-(4-Methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate
CID 143963084
6-(Difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid
CID 162754764
Methyl 5-(fluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylate
CID 163848532
10,10-Difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
CID 166908969
1-Tetracyclo[5.2.1.03,8.05,8]decanyl 2-methyl-4-phenylbutanoate
CID 123181580
Tert-butyl 1-cyclohexa-2,4-dien-1-yl-5,7-diphenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylate
CID 163966374

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate?
The IUPAC name of [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate (CID 91384660) is [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate.
What is the SMILES notation for [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate?
The canonical SMILES for [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate is Cc1ccc(C23CC4CC5(OC(=O)C(C)(F)F)CC(C2)C45C3)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate?
The InChIKey is GYDUZVUKAFCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2O2/c1-12-3-5-13(6-4-12)18-7-14-9-19(24-16(23)17(2,21)22)10-15(8-18)20(14,19)11-18/h3-6,14-15H,7-11H2,1-2H3.
What are the key properties of [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate?
[1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate has a molecular weight of 332.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate is sourced from PubChem (CID 91384660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).