1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one

C17H24FNO3 — CID 126490645

IUPAC1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one
SMILESCC(C)(C)c1cc(F)ccc1OC1CN(C(=O)CCCO)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)14-9-12(18)6-7-15(14)22-13-10-19(11-13)16(21)5-4-8-20/h6-7,9,13,20H,4-5,8,10-11H2,1-3H3
InChIKeyKSATYQVOQUSLNI-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.49
Rot. Bonds5

About 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one

1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one (PubChem CID 126490645) has the molecular formula C17H24FNO3 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one.

Molecular Properties

Compound Name1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one
PubChem CID126490645
Molecular FormulaC17H24FNO3
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one
SMILESCC(C)(C)c1cc(F)ccc1OC1CN(C(=O)CCCO)C1
InChIInChI=1S/C17H24FNO3/c1-17(2,3)14-9-12(18)6-7-15(14)22-13-10-19(11-13)16(21)5-4-8-20/h6-7,9,13,20H,4-5,8,10-11H2,1-3H3
InChIKeyKSATYQVOQUSLNI-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2-tert-butyl-4-methylphenoxy)azetidin-1-yl]-4-oxobutanoic acid
CID 59577046
3-[3-(2-tert-butyl-4-fluorophenoxy)azetidine-1-carbonyl]cyclohexan-1-one
CID 159618377
3-[4-(2-tert-butyl-4-fluorophenoxy)piperidin-1-yl]-3-oxopropanoic acid
CID 59577276
[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 59577303
1-[4-(2-tert-butyl-4-fluorophenoxy)piperidin-1-yl]-2-(2-hydroxyphenyl)sulfonylethanone
CID 59577027
1-[4-(2-tert-butyl-4-fluorophenoxy)piperidin-1-yl]-2-(2-hydroxyphenyl)sulfinylethanone
CID 59577235
1-[4-(2-tert-butyl-4-fluorophenoxy)piperidin-1-yl]-2-(N,2-diaminoanilino)oxyethanone
CID 143793284
4-(2-tert-butyl-4-fluorophenoxy)piperidine
CID 46941721
methyl 4-[4-[(2-tert-butyl-4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutanoate
CID 59577152
4-[3-(2-tert-butylphenoxy)azetidine-1-carbonyl]benzoic acid
CID 59577192
ethyl 2-[3-(2-tert-butylphenoxy)azetidin-1-yl]-2-oxoacetate
CID 59577194
1-[3-[(2-tert-butyl-4-fluorophenoxy)methyl]pyrrolidin-1-yl]-2-hydroxy-2-methoxyethanone
CID 126490335

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one?
The IUPAC name of 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one (CID 126490645) is 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one.
What is the SMILES notation for 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one?
The canonical SMILES for 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one is CC(C)(C)c1cc(F)ccc1OC1CN(C(=O)CCCO)C1.
What is the InChIKey of 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one?
The InChIKey is KSATYQVOQUSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3/c1-17(2,3)14-9-12(18)6-7-15(14)22-13-10-19(11-13)16(21)5-4-8-20/h6-7,9,13,20H,4-5,8,10-11H2,1-3H3.
What are the key properties of 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one?
1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one has a molecular weight of 309.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-tert-butyl-4-fluorophenoxy)azetidin-1-yl]-4-hydroxybutan-1-one is sourced from PubChem (CID 126490645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).