3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol

C15H21FO — CID 81415006

IUPAC3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(c1ccc(F)cc1)C1CC(O)C1(C)C
InChIInChI=1S/C15H21FO/c1-14(2,10-5-7-11(16)8-6-10)12-9-13(17)15(12,3)4/h5-8,12-13,17H,9H2,1-4H3
InChIKeyIJOHQWGMEDIHIY-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.51
Rot. Bonds2

About 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol

3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol (PubChem CID 81415006) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol
PubChem CID81415006
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol
SMILESCC(C)(c1ccc(F)cc1)C1CC(O)C1(C)C
InChIInChI=1S/C15H21FO/c1-14(2,10-5-7-11(16)8-6-10)12-9-13(17)15(12,3)4/h5-8,12-13,17H,9H2,1-4H3
InChIKeyIJOHQWGMEDIHIY-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol (CID 81415006) is 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol is CC(C)(c1ccc(F)cc1)C1CC(O)C1(C)C.
What is the InChIKey of 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is IJOHQWGMEDIHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-14(2,10-5-7-11(16)8-6-10)12-9-13(17)15(12,3)4/h5-8,12-13,17H,9H2,1-4H3.
What are the key properties of 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol?
3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 236.33 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)propan-2-yl]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 81415006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).