3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol

C12H15FO — CID 81415603

IUPAC3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccccc1F
InChIInChI=1S/C12H15FO/c1-12(2)9(7-11(12)14)8-5-3-4-6-10(8)13/h3-6,9,11,14H,7H2,1-2H3
InChIKeyARPNGSKMJFICOX-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.70
Rot. Bonds1

About 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol

3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol (PubChem CID 81415603) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
PubChem CID81415603
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Name3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C(O)CC1c1ccccc1F
InChIInChI=1S/C12H15FO/c1-12(2)9(7-11(12)14)8-5-3-4-6-10(8)13/h3-6,9,11,14H,7H2,1-2H3
InChIKeyARPNGSKMJFICOX-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol (CID 81415603) is 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol is CC1(C)C(O)CC1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol?
The InChIKey is ARPNGSKMJFICOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO/c1-12(2)9(7-11(12)14)8-5-3-4-6-10(8)13/h3-6,9,11,14H,7H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol?
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol has a molecular weight of 194.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 81415603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).