10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid

C17H16F2O2 — CID 166908969

IUPAC10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
SMILESO=C(O)C12CC3CC14C(CC4(c1ccccc1)C2)C3(F)F
InChIInChI=1S/C17H16F2O2/c18-17(19)11-6-15(13(20)21)9-14(10-4-2-1-3-5-10)8-12(17)16(14,15)7-11/h1-5,11-12H,6-9H2,(H,20,21)
InChIKeyWOINXZZIZNRALC-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.46
Rot. Bonds2

About 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid

10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid (PubChem CID 166908969) has the molecular formula C17H16F2O2 and a molecular weight of 290.31 g/mol. Its IUPAC name is 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid.

Molecular Properties

Compound Name10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
PubChem CID166908969
Molecular FormulaC17H16F2O2
Molecular Weight290.31 g/mol
Exact Mass290.11
IUPAC Name10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid
SMILESO=C(O)C12CC3CC14C(CC4(c1ccccc1)C2)C3(F)F
InChIInChI=1S/C17H16F2O2/c18-17(19)11-6-15(13(20)21)9-14(10-4-2-1-3-5-10)8-12(17)16(14,15)7-11/h1-5,11-12H,6-9H2,(H,20,21)
InChIKeyWOINXZZIZNRALC-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
The IUPAC name of 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid (CID 166908969) is 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid.
What is the SMILES notation for 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
The canonical SMILES for 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid is O=C(O)C12CC3CC14C(CC4(c1ccccc1)C2)C3(F)F.
What is the InChIKey of 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
The InChIKey is WOINXZZIZNRALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O2/c18-17(19)11-6-15(13(20)21)9-14(10-4-2-1-3-5-10)8-12(17)16(14,15)7-11/h1-5,11-12H,6-9H2,(H,20,21).
What are the key properties of 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid?
10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid has a molecular weight of 290.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-5-phenyltetracyclo[5.2.1.03,8.05,8]decane-3-carboxylic acid is sourced from PubChem (CID 166908969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).