(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

C17H22FNOS — CID 105189142

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2cc3cc(F)ccc3s2)C(C)(C)O1
InChIInChI=1S/C17H22FNOS/c1-16(2)9-12(17(3,4)20-16)15(19)14-8-10-7-11(18)5-6-13(10)21-14/h5-8,12,15H,9,19H2,1-4H3
InChIKeyCCNWZNQAUHBFJC-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.63
Rot. Bonds2

About (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine

(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (PubChem CID 105189142) has the molecular formula C17H22FNOS and a molecular weight of 307.43 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
PubChem CID105189142
Molecular FormulaC17H22FNOS
Molecular Weight307.43 g/mol
Exact Mass307.14
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
SMILESCC1(C)CC(C(N)c2cc3cc(F)ccc3s2)C(C)(C)O1
InChIInChI=1S/C17H22FNOS/c1-16(2)9-12(17(3,4)20-16)15(19)14-8-10-7-11(18)5-6-13(10)21-14/h5-8,12,15H,9,19H2,1-4H3
InChIKeyCCNWZNQAUHBFJC-UHFFFAOYSA-N
XLogP4.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine (CID 105189142) is (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is CC1(C)CC(C(N)c2cc3cc(F)ccc3s2)C(C)(C)O1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
The InChIKey is CCNWZNQAUHBFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNOS/c1-16(2)9-12(17(3,4)20-16)15(19)14-8-10-7-11(18)5-6-13(10)21-14/h5-8,12,15H,9,19H2,1-4H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine?
(5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine has a molecular weight of 307.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine is sourced from PubChem (CID 105189142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).