4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene

C15H9ClF2O2S — CID 143513834

IUPAC4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene
SMILESO=S(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF2O2S/c16-9-1-3-10(4-2-9)21(19)13-7-8-20-15-12(18)6-5-11(17)14(13)15/h1-7H,8H2
InChIKeyNXGCQNDUJQAWOE-UHFFFAOYSA-N
MW326.75 g/mol
LogP4.16
Rot. Bonds2

About 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene

4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene (PubChem CID 143513834) has the molecular formula C15H9ClF2O2S and a molecular weight of 326.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene
PubChem CID143513834
Molecular FormulaC15H9ClF2O2S
Molecular Weight326.75 g/mol
Exact Mass326.00
IUPAC Name4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene
SMILESO=S(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1
InChIInChI=1S/C15H9ClF2O2S/c16-9-1-3-10(4-2-9)21(19)13-7-8-20-15-12(18)6-5-11(17)14(13)15/h1-7H,8H2
InChIKeyNXGCQNDUJQAWOE-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.75
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene?
The IUPAC name of 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene (CID 143513834) is 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene.
What is the SMILES notation for 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene?
The canonical SMILES for 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene is O=S(C1=CCOc2c(F)ccc(F)c21)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene?
The InChIKey is NXGCQNDUJQAWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF2O2S/c16-9-1-3-10(4-2-9)21(19)13-7-8-20-15-12(18)6-5-11(17)14(13)15/h1-7H,8H2.
What are the key properties of 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene?
4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene has a molecular weight of 326.75 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfinyl-5,8-difluoro-2H-chromene is sourced from PubChem (CID 143513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).