3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride

C10H11FO3S — CID 165478983

IUPAC3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1cccc2c1CCOC2
InChIInChI=1S/C10H11FO3S/c11-15(12,13)7-9-3-1-2-8-6-14-5-4-10(8)9/h1-3H,4-7H2
InChIKeyQEBVERXKARJNFA-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.56
Rot. Bonds2

About 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride

3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride (PubChem CID 165478983) has the molecular formula C10H11FO3S and a molecular weight of 230.26 g/mol. Its IUPAC name is 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride.

Molecular Properties

Compound Name3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride
PubChem CID165478983
Molecular FormulaC10H11FO3S
Molecular Weight230.26 g/mol
Exact Mass230.04
IUPAC Name3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride
SMILESO=S(=O)(F)Cc1cccc2c1CCOC2
InChIInChI=1S/C10H11FO3S/c11-15(12,13)7-9-3-1-2-8-6-14-5-4-10(8)9/h1-3H,4-7H2
InChIKeyQEBVERXKARJNFA-UHFFFAOYSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride?
The IUPAC name of 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride (CID 165478983) is 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride.
What is the SMILES notation for 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride?
The canonical SMILES for 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride is O=S(=O)(F)Cc1cccc2c1CCOC2.
What is the InChIKey of 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride?
The InChIKey is QEBVERXKARJNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3S/c11-15(12,13)7-9-3-1-2-8-6-14-5-4-10(8)9/h1-3H,4-7H2.
What are the key properties of 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride?
3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride has a molecular weight of 230.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isochromen-5-ylmethanesulfonyl fluoride is sourced from PubChem (CID 165478983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).