[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine

C11H11F2NOS — CID 114378325

IUPAC[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESCOCc1c(CN)sc2c(F)ccc(F)c12
InChIInChI=1S/C11H11F2NOS/c1-15-5-6-9(4-14)16-11-8(13)3-2-7(12)10(6)11/h2-3H,4-5,14H2,1H3
InChIKeyZRYNAZIAIHAUEB-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.78
Rot. Bonds3

About [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine

[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine (PubChem CID 114378325) has the molecular formula C11H11F2NOS and a molecular weight of 243.28 g/mol. Its IUPAC name is [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound Name[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine
PubChem CID114378325
Molecular FormulaC11H11F2NOS
Molecular Weight243.28 g/mol
Exact Mass243.05
IUPAC Name[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine
SMILESCOCc1c(CN)sc2c(F)ccc(F)c12
InChIInChI=1S/C11H11F2NOS/c1-15-5-6-9(4-14)16-11-8(13)3-2-7(12)10(6)11/h2-3H,4-5,14H2,1H3
InChIKeyZRYNAZIAIHAUEB-UHFFFAOYSA-N
XLogP2.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine with MolForge

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Related Compounds

[4-fluoro-3-(propan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62458040
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
CID 112546161
[4-fluoro-3-(propoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62452061
[4-fluoro-3-(4-methylpentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443526
[3-(methoxymethyl)-5,6-dimethyl-1-benzothiophen-2-yl]methanamine
CID 114378169
[4-fluoro-3-(2,2,2-trifluoroethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62443877
[4-fluoro-3-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1-benzothiophen-2-yl]methanamine
CID 115942816
[4-fluoro-3-(pentan-2-yloxymethyl)-1-benzothiophen-2-yl]methanamine
CID 102986878
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
CID 176835455
[4-fluoro-3-[(6-methyl-3-pyridinyl)oxymethyl]-1-benzothiophen-2-yl]methanamine
CID 62442811
[4-fluoro-3-(thiophen-2-ylmethoxymethyl)-1-benzothiophen-2-yl]methanamine
CID 62485253
N-[[3-(methoxymethyl)-4,7-dimethyl-1-benzothiophen-2-yl]methyl]ethanamine
CID 114377779

Frequently Asked Questions

What is the IUPAC name of [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine?
The IUPAC name of [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine (CID 114378325) is [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine is COCc1c(CN)sc2c(F)ccc(F)c12.
What is the InChIKey of [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine?
The InChIKey is ZRYNAZIAIHAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NOS/c1-15-5-6-9(4-14)16-11-8(13)3-2-7(12)10(6)11/h2-3H,4-5,14H2,1H3.
What are the key properties of [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine?
[4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine has a molecular weight of 243.28 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,7-difluoro-3-(methoxymethyl)-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 114378325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).