4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene

C16H9F3OS — CID 20633775

IUPAC4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
SMILESC=C1C=C(Sc2ccc(F)cc2F)c2cc(F)ccc2O1
InChIInChI=1S/C16H9F3OS/c1-9-6-16(12-7-10(17)2-4-14(12)20-9)21-15-5-3-11(18)8-13(15)19/h2-8H,1H2
InChIKeyCOCUVUNBBRUZRN-UHFFFAOYSA-N
MW306.31 g/mol
LogP5.14
Rot. Bonds2

About 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene

4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene (PubChem CID 20633775) has the molecular formula C16H9F3OS and a molecular weight of 306.31 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
PubChem CID20633775
Molecular FormulaC16H9F3OS
Molecular Weight306.31 g/mol
Exact Mass306.03
IUPAC Name4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
SMILESC=C1C=C(Sc2ccc(F)cc2F)c2cc(F)ccc2O1
InChIInChI=1S/C16H9F3OS/c1-9-6-16(12-7-10(17)2-4-14(12)20-9)21-15-5-3-11(18)8-13(15)19/h2-8H,1H2
InChIKeyCOCUVUNBBRUZRN-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.31
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
The IUPAC name of 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene (CID 20633775) is 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene.
What is the SMILES notation for 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
The canonical SMILES for 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene is C=C1C=C(Sc2ccc(F)cc2F)c2cc(F)ccc2O1.
What is the InChIKey of 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
The InChIKey is COCUVUNBBRUZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3OS/c1-9-6-16(12-7-10(17)2-4-14(12)20-9)21-15-5-3-11(18)8-13(15)19/h2-8H,1H2.
What are the key properties of 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene has a molecular weight of 306.31 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene is sourced from PubChem (CID 20633775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).