(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane

C10H13FO2S — CID 162071384

IUPAC(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane
SMILESCOC[C@H]1COc2c(F)cccc21.S
InChIInChI=1S/C10H11FO2.H2S/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11;/h2-4,7H,5-6H2,1H3;1H2/t7-;/m0./s1
InChIKeyZBDADBWXNRZZSQ-FJXQXJEOSA-N
MW216.28 g/mol
LogP2.06
Rot. Bonds2

About (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane

(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane (PubChem CID 162071384) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane.

Molecular Properties

Compound Name(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane
PubChem CID162071384
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane
SMILESCOC[C@H]1COc2c(F)cccc21.S
InChIInChI=1S/C10H11FO2.H2S/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11;/h2-4,7H,5-6H2,1H3;1H2/t7-;/m0./s1
InChIKeyZBDADBWXNRZZSQ-FJXQXJEOSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane?
The IUPAC name of (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane (CID 162071384) is (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane.
What is the SMILES notation for (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane?
The canonical SMILES for (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane is COC[C@H]1COc2c(F)cccc21.S.
What is the InChIKey of (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane?
The InChIKey is ZBDADBWXNRZZSQ-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H11FO2.H2S/c1-12-5-7-6-13-10-8(7)3-2-4-9(10)11;/h2-4,7H,5-6H2,1H3;1H2/t7-;/m0./s1.
What are the key properties of (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane?
(3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane has a molecular weight of 216.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-7-fluoro-3-(methoxymethyl)-2,3-dihydro-1-benzofuran;sulfane is sourced from PubChem (CID 162071384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).