4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene

C16H9ClF2OS — CID 20633778

IUPAC4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
SMILESC=C1C=C(Sc2ccc(F)cc2Cl)c2cc(F)ccc2O1
InChIInChI=1S/C16H9ClF2OS/c1-9-6-16(12-7-10(18)2-4-14(12)20-9)21-15-5-3-11(19)8-13(15)17/h2-8H,1H2
InChIKeyXETYNVJGTCHOJH-UHFFFAOYSA-N
MW322.76 g/mol
LogP5.66
Rot. Bonds2

About 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene

4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene (PubChem CID 20633778) has the molecular formula C16H9ClF2OS and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
PubChem CID20633778
Molecular FormulaC16H9ClF2OS
Molecular Weight322.76 g/mol
Exact Mass322.00
IUPAC Name4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene
SMILESC=C1C=C(Sc2ccc(F)cc2Cl)c2cc(F)ccc2O1
InChIInChI=1S/C16H9ClF2OS/c1-9-6-16(12-7-10(18)2-4-14(12)20-9)21-15-5-3-11(19)8-13(15)17/h2-8H,1H2
InChIKeyXETYNVJGTCHOJH-UHFFFAOYSA-N
XLogP5.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.76
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene (CID 20633778) is 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene is C=C1C=C(Sc2ccc(F)cc2Cl)c2cc(F)ccc2O1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
The InChIKey is XETYNVJGTCHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF2OS/c1-9-6-16(12-7-10(18)2-4-14(12)20-9)21-15-5-3-11(19)8-13(15)17/h2-8H,1H2.
What are the key properties of 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene?
4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene has a molecular weight of 322.76 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)sulfanyl-6-fluoro-2-methylidenechromene is sourced from PubChem (CID 20633778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).