3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid

C15H19FO2 — CID 65017269

IUPAC3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
SMILESCC(C)(C)C1CC(C(=O)O)(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FO2/c1-14(2,3)11-8-15(9-11,13(17)18)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChIKeyHWYVIGKILDSRKX-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.60
Rot. Bonds2

About 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid

3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid (PubChem CID 65017269) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
PubChem CID65017269
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
SMILESCC(C)(C)C1CC(C(=O)O)(c2ccc(F)cc2)C1
InChIInChI=1S/C15H19FO2/c1-14(2,3)11-8-15(9-11,13(17)18)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,18)
InChIKeyHWYVIGKILDSRKX-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid (CID 65017269) is 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid is CC(C)(C)C1CC(C(=O)O)(c2ccc(F)cc2)C1.
What is the InChIKey of 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid?
The InChIKey is HWYVIGKILDSRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO2/c1-14(2,3)11-8-15(9-11,13(17)18)10-4-6-12(16)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid?
3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid has a molecular weight of 250.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 65017269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).