[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol

C16H20FNO2 — CID 114726886

IUPAC[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESCN(C)C1(C(O)c2cc3cccc(F)c3o2)CCCC1
InChIInChI=1S/C16H20FNO2/c1-18(2)16(8-3-4-9-16)15(19)13-10-11-6-5-7-12(17)14(11)20-13/h5-7,10,15,19H,3-4,8-9H2,1-2H3
InChIKeyDQHIKSAILRHOHW-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.48
Rot. Bonds3

About [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol

[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol (PubChem CID 114726886) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
PubChem CID114726886
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol
SMILESCN(C)C1(C(O)c2cc3cccc(F)c3o2)CCCC1
InChIInChI=1S/C16H20FNO2/c1-18(2)16(8-3-4-9-16)15(19)13-10-11-6-5-7-12(17)14(11)20-13/h5-7,10,15,19H,3-4,8-9H2,1-2H3
InChIKeyDQHIKSAILRHOHW-UHFFFAOYSA-N
XLogP3.48
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
(1-ethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047532
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(7-methyl-1-benzofuran-2-yl)-(1-methylcyclopentyl)methanol
CID 115836488
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
2-(diethylamino)-1-(7-fluoro-1-benzofuran-2-yl)-2-methylbutan-1-ol
CID 114726861
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
[(7-fluoro-1-benzofuran-2-yl)-(1-methylcyclopropyl)methyl]hydrazine
CID 105253565
1-benzofuran-2-yl-(7-fluoro-1-benzofuran-2-yl)methanol
CID 114723565
(7-fluoro-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanol
CID 115836932

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol?
The IUPAC name of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol (CID 114726886) is [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol.
What is the SMILES notation for [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol?
The canonical SMILES for [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol is CN(C)C1(C(O)c2cc3cccc(F)c3o2)CCCC1.
What is the InChIKey of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol?
The InChIKey is DQHIKSAILRHOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-18(2)16(8-3-4-9-16)15(19)13-10-11-6-5-7-12(17)14(11)20-13/h5-7,10,15,19H,3-4,8-9H2,1-2H3.
What are the key properties of [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol?
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol has a molecular weight of 277.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114726886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).