6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride

C12H9Cl2F3O3S — CID 141098005

IUPAC6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride
SMILESCCC1(C(F)(F)F)C=Cc2cc(Cl)cc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C12H9Cl2F3O3S/c1-2-11(12(15,16)17)4-3-7-5-8(13)6-9(10(7)20-11)21(14,18)19/h3-6H,2H2,1H3
InChIKeySRIVOYSKTJUZEG-UHFFFAOYSA-N
MW361.17 g/mol
LogP4.38
Rot. Bonds2

About 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride

6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride (PubChem CID 141098005) has the molecular formula C12H9Cl2F3O3S and a molecular weight of 361.17 g/mol. Its IUPAC name is 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride.

Molecular Properties

Compound Name6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride
PubChem CID141098005
Molecular FormulaC12H9Cl2F3O3S
Molecular Weight361.17 g/mol
Exact Mass359.96
IUPAC Name6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride
SMILESCCC1(C(F)(F)F)C=Cc2cc(Cl)cc(S(=O)(=O)Cl)c2O1
InChIInChI=1S/C12H9Cl2F3O3S/c1-2-11(12(15,16)17)4-3-7-5-8(13)6-9(10(7)20-11)21(14,18)19/h3-6H,2H2,1H3
InChIKeySRIVOYSKTJUZEG-UHFFFAOYSA-N
XLogP4.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride?
The IUPAC name of 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride (CID 141098005) is 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride.
What is the SMILES notation for 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride?
The canonical SMILES for 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride is CCC1(C(F)(F)F)C=Cc2cc(Cl)cc(S(=O)(=O)Cl)c2O1.
What is the InChIKey of 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride?
The InChIKey is SRIVOYSKTJUZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3O3S/c1-2-11(12(15,16)17)4-3-7-5-8(13)6-9(10(7)20-11)21(14,18)19/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride?
6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride has a molecular weight of 361.17 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-2-(trifluoromethyl)chromene-8-sulfonyl chloride is sourced from PubChem (CID 141098005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).