(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone

C15H15FO3 — CID 114725865

IUPAC(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cc3cc(F)ccc3o2)CCCCO1
InChIInChI=1S/C15H15FO3/c1-15(6-2-3-7-18-15)14(17)13-9-10-8-11(16)4-5-12(10)19-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKREKENJWKXMQLY-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.71
Rot. Bonds2

About (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone

(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone (PubChem CID 114725865) has the molecular formula C15H15FO3 and a molecular weight of 262.28 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
PubChem CID114725865
Molecular FormulaC15H15FO3
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
SMILESCC1(C(=O)c2cc3cc(F)ccc3o2)CCCCO1
InChIInChI=1S/C15H15FO3/c1-15(6-2-3-7-18-15)14(17)13-9-10-8-11(16)4-5-12(10)19-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyKREKENJWKXMQLY-UHFFFAOYSA-N
XLogP3.71
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
[(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methyl]hydrazine
CID 105256316
(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
CID 114725249
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107004043
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(2-fluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80691647
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778
2-cycloheptyl-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 115808809
(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80684654

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone (CID 114725865) is (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone is CC1(C(=O)c2cc3cc(F)ccc3o2)CCCCO1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone?
The InChIKey is KREKENJWKXMQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO3/c1-15(6-2-3-7-18-15)14(17)13-9-10-8-11(16)4-5-12(10)19-13/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone has a molecular weight of 262.28 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone is sourced from PubChem (CID 114725865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).