(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol

C14H15FO2 — CID 107005479

IUPAC(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCC1(C)CC1C(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H15FO2/c1-14(2)7-10(14)13(16)12-6-8-5-9(15)3-4-11(8)17-12/h3-6,10,13,16H,7H2,1-2H3
InChIKeyJUUYZRCBOZJZLT-UHFFFAOYSA-N
MW234.27 g/mol
LogP3.65
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol

(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 107005479) has the molecular formula C14H15FO2 and a molecular weight of 234.27 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
PubChem CID107005479
Molecular FormulaC14H15FO2
Molecular Weight234.27 g/mol
Exact Mass234.11
IUPAC Name(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
SMILESCC1(C)CC1C(O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H15FO2/c1-14(2)7-10(14)13(16)12-6-8-5-9(15)3-4-11(8)17-12/h3-6,10,13,16H,7H2,1-2H3
InChIKeyJUUYZRCBOZJZLT-UHFFFAOYSA-N
XLogP3.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107005864
(5-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724078
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107004043
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
1-(5-fluoro-1-benzofuran-2-yl)-2,3-dimethylbutan-1-ol
CID 115836618
2,3-dihydro-1-benzothiophen-2-yl-(5-fluoro-1-benzofuran-2-yl)methanol
CID 105129629
2-(dimethylamino)-1-(5-fluoro-1-benzofuran-2-yl)ethanol
CID 114726918
1-(4,4-difluorocyclohexyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105185874
(2,5-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114723613
[(5-chloro-1-benzofuran-2-yl)-(2,2-dimethylcyclopropyl)methyl]hydrazine
CID 107005863
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
CID 105046277
(2,5-dimethylfuran-3-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 115836603

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol (CID 107005479) is (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol is CC1(C)CC1C(O)c1cc2cc(F)ccc2o1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is JUUYZRCBOZJZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO2/c1-14(2)7-10(14)13(16)12-6-8-5-9(15)3-4-11(8)17-12/h3-6,10,13,16H,7H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol?
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 234.27 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 107005479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).