2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol

C13H18FNO — CID 83128947

IUPAC2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1ccc(F)cn1
InChIInChI=1S/C13H18FNO/c1-3-13(4-2)10(7-12(13)16)11-6-5-9(14)8-15-11/h5-6,8,10,12,16H,3-4,7H2,1-2H3
InChIKeyREKLPPQNTNDVRE-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.88
Rot. Bonds3

About 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol

2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol (PubChem CID 83128947) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol
PubChem CID83128947
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1c1ccc(F)cn1
InChIInChI=1S/C13H18FNO/c1-3-13(4-2)10(7-12(13)16)11-6-5-9(14)8-15-11/h5-6,8,10,12,16H,3-4,7H2,1-2H3
InChIKeyREKLPPQNTNDVRE-UHFFFAOYSA-N
XLogP2.88
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol (CID 83128947) is 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol is CCC1(CC)C(O)CC1c1ccc(F)cn1.
What is the InChIKey of 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol?
The InChIKey is REKLPPQNTNDVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-13(4-2)10(7-12(13)16)11-6-5-9(14)8-15-11/h5-6,8,10,12,16H,3-4,7H2,1-2H3.
What are the key properties of 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol?
2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol has a molecular weight of 223.29 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-(5-fluoro-2-pyridinyl)cyclobutan-1-ol is sourced from PubChem (CID 83128947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).