2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol

C13H17FO — CID 81421656

IUPAC2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol
SMILESCCC1C(O)C(C)C1c1ccc(F)cc1
InChIInChI=1S/C13H17FO/c1-3-11-12(8(2)13(11)15)9-4-6-10(14)7-5-9/h4-8,11-13,15H,3H2,1-2H3
InChIKeyRJOWPMMBAHITHM-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.95
Rot. Bonds2

About 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol

2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol (PubChem CID 81421656) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol
PubChem CID81421656
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol
SMILESCCC1C(O)C(C)C1c1ccc(F)cc1
InChIInChI=1S/C13H17FO/c1-3-11-12(8(2)13(11)15)9-4-6-10(14)7-5-9/h4-8,11-13,15H,3H2,1-2H3
InChIKeyRJOWPMMBAHITHM-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol?
The IUPAC name of 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol (CID 81421656) is 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol?
The canonical SMILES for 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol is CCC1C(O)C(C)C1c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol?
The InChIKey is RJOWPMMBAHITHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-3-11-12(8(2)13(11)15)9-4-6-10(14)7-5-9/h4-8,11-13,15H,3H2,1-2H3.
What are the key properties of 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol?
2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol has a molecular weight of 208.28 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(4-fluorophenyl)-4-methylcyclobutan-1-ol is sourced from PubChem (CID 81421656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).