1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol

C14H17FO2 — CID 115836618

IUPAC1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)C(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FO2/c1-8(2)9(3)14(16)13-7-10-6-11(15)4-5-12(10)17-13/h4-9,14,16H,1-3H3
InChIKeyVMRGFMSCVOQRKA-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.90
Rot. Bonds3

About 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol

1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol (PubChem CID 115836618) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
PubChem CID115836618
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
SMILESCC(C)C(C)C(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H17FO2/c1-8(2)9(3)14(16)13-7-10-6-11(15)4-5-12(10)17-13/h4-9,14,16H,1-3H3
InChIKeyVMRGFMSCVOQRKA-UHFFFAOYSA-N
XLogP3.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
N-[1-(5-fluoro-1-benzofuran-2-yl)ethyl]acetamide
CID 146127773
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603
3-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)propan-1-ol
CID 114727140
(5-fluoro-1-benzofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 114723636
1-(5-fluoro-1-benzofuran-2-yl)but-3-en-1-ol
CID 114727304
(4,5-dibromofuran-2-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723341
diethyl 2-(5-fluoro-1-benzofuran-2-yl)propanedioate
CID 114732709
2-ethyl-1-(5-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 105046223

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol?
The IUPAC name of 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol (CID 115836618) is 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol.
What is the SMILES notation for 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol?
The canonical SMILES for 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol is CC(C)C(C)C(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol?
The InChIKey is VMRGFMSCVOQRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-8(2)9(3)14(16)13-7-10-6-11(15)4-5-12(10)17-13/h4-9,14,16H,1-3H3.
What are the key properties of 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol?
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol has a molecular weight of 236.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol is sourced from PubChem (CID 115836618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).