[5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate

C19H20F2O2 — CID 143963084

IUPAC[5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate
SMILESCc1ccc(C23CC4CC5(OC(=O)C(C)(F)F)CC(C2)C453)cc1
InChIInChI=1S/C19H20F2O2/c1-11-3-5-12(6-4-11)17-7-13-9-18(23-15(22)16(2,20)21)10-14(8-17)19(13,17)18/h3-6,13-14H,7-10H2,1-2H3
InChIKeyZZYFIEAZJPYKJL-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.00
Rot. Bonds3

About [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate

[5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate (PubChem CID 143963084) has the molecular formula C19H20F2O2 and a molecular weight of 318.36 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate
PubChem CID143963084
Molecular FormulaC19H20F2O2
Molecular Weight318.36 g/mol
Exact Mass318.14
IUPAC Name[5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate
SMILESCc1ccc(C23CC4CC5(OC(=O)C(C)(F)F)CC(C2)C453)cc1
InChIInChI=1S/C19H20F2O2/c1-11-3-5-12(6-4-11)17-7-13-9-18(23-15(22)16(2,20)21)10-14(8-17)19(13,17)18/h3-6,13-14H,7-10H2,1-2H3
InChIKeyZZYFIEAZJPYKJL-UHFFFAOYSA-N
XLogP4.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate with MolForge

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Related Compounds

Trifluoroacetic acid, 4-phenyladamantan-2-yl ester
CID 610824
[3-(4-Methylphenyl)-1-adamantyl] 2,2-difluoro-2-oxidoperoxysulfanylacetate
CID 57802183
[3-(4-Methylphenyl)-1-adamantyl] 2,2-difluoro-2-(trioxidanylsulfanyl)acetate
CID 57802184
[3-[[3-(4-Methylphenyl)-1-adamantyl]methoxy]-3-oxopropyl] 2,2-difluoropropanoate
CID 58108046
[3-(4-Tert-butylphenyl)-1-adamantyl]methyl 2,2-difluoroacetate
CID 58225802
(2-Phenyl-1-adamantyl)methyl 2,2-difluoroacetate
CID 58225825
[3-(4-Methylphenyl)-1-adamantyl]methyl 3-(2,2-difluoroacetyl)oxypropanoate
CID 58225884
2-[(3-Phenyl-1-adamantyl)oxy]ethyl 2,2-difluoroacetate
CID 58225967
[2-[[2-Methyl-5-(4-methylphenyl)-2-adamantyl]oxy]-2-oxoethyl] 2,2-difluoropropanoate
CID 58391775
[3-(4-Propan-2-ylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate
CID 59602285
[3-(2,4-Dimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate
CID 59602299
[3-(2,4,6-Trimethylphenyl)-1-adamantyl]methyl 2,2-difluoropropanoate
CID 59602333

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate?
The IUPAC name of [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate (CID 143963084) is [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate.
What is the SMILES notation for [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate?
The canonical SMILES for [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate is Cc1ccc(C23CC4CC5(OC(=O)C(C)(F)F)CC(C2)C453)cc1.
What is the InChIKey of [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate?
The InChIKey is ZZYFIEAZJPYKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O2/c1-11-3-5-12(6-4-11)17-7-13-9-18(23-15(22)16(2,20)21)10-14(8-17)19(13,17)18/h3-6,13-14H,7-10H2,1-2H3.
What are the key properties of [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate?
[5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate has a molecular weight of 318.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1-tetracyclo[3.3.1.03,9.07,9]nonanyl] 2,2-difluoropropanoate is sourced from PubChem (CID 143963084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).