2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol

C15H21FO2 — CID 66344808

IUPAC2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1OCc1ccccc1F
InChIInChI=1S/C15H21FO2/c1-3-15(4-2)13(17)9-14(15)18-10-11-7-5-6-8-12(11)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyBUMWOKLLCHBIHC-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.28
Rot. Bonds5

About 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol

2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol (PubChem CID 66344808) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
PubChem CID66344808
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol
SMILESCCC1(CC)C(O)CC1OCc1ccccc1F
InChIInChI=1S/C15H21FO2/c1-3-15(4-2)13(17)9-14(15)18-10-11-7-5-6-8-12(11)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3
InChIKeyBUMWOKLLCHBIHC-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.28
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-[(2-fluorophenyl)methoxy]cyclobutan-1-ol?
The IUPAC name of 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol (CID 66344808) is 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol.
What is the SMILES notation for 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol?
The canonical SMILES for 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol is CCC1(CC)C(O)CC1OCc1ccccc1F.
What is the InChIKey of 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol?
The InChIKey is BUMWOKLLCHBIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-3-15(4-2)13(17)9-14(15)18-10-11-7-5-6-8-12(11)16/h5-8,13-14,17H,3-4,9-10H2,1-2H3.
What are the key properties of 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol?
2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-[(2-fluorophenyl)methoxy]cyclobutan-1-ol is sourced from PubChem (CID 66344808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).