1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride

C10H8ClF3O3S — CID 114827537

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(c1ccc2c(c1)CCO2)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3S/c11-18(15,16)9(10(12,13)14)7-1-2-8-6(5-7)3-4-17-8/h1-2,5,9H,3-4H2
InChIKeyMCCIGWIEDWKMOQ-UHFFFAOYSA-N
MW300.69 g/mol
LogP2.79
Rot. Bonds2

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride (PubChem CID 114827537) has the molecular formula C10H8ClF3O3S and a molecular weight of 300.69 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride
PubChem CID114827537
Molecular FormulaC10H8ClF3O3S
Molecular Weight300.69 g/mol
Exact Mass299.98
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(c1ccc2c(c1)CCO2)C(F)(F)F
InChIInChI=1S/C10H8ClF3O3S/c11-18(15,16)9(10(12,13)14)7-1-2-8-6(5-7)3-4-17-8/h1-2,5,9H,3-4H2
InChIKeyMCCIGWIEDWKMOQ-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.69
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine;hydrochloride
CID 171240485
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215845
2,3-dihydro-1-benzofuran-5-sulfonyl chloride
CID 2776154
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660691
(2S)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 66510589
(2R)-2-amino-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 93297974
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 43198411
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride (CID 114827537) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride is O=S(=O)(Cl)C(c1ccc2c(c1)CCO2)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride?
The InChIKey is MCCIGWIEDWKMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O3S/c11-18(15,16)9(10(12,13)14)7-1-2-8-6(5-7)3-4-17-8/h1-2,5,9H,3-4H2.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride?
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride has a molecular weight of 300.69 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanesulfonyl chloride is sourced from PubChem (CID 114827537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).