6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene

C17H14ClF3OS — CID 141098179

IUPAC6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2cc(Cl)c(Cc3ccsc3)cc2O1
InChIInChI=1S/C17H14ClF3OS/c1-2-16(17(19,20)21)5-3-12-8-14(18)13(9-15(12)22-16)7-11-4-6-23-10-11/h3-6,8-10H,2,7H2,1H3
InChIKeyXZUDRBDOCYTBFI-UHFFFAOYSA-N
MW358.81 g/mol
LogP6.11
Rot. Bonds3

About 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene

6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene (PubChem CID 141098179) has the molecular formula C17H14ClF3OS and a molecular weight of 358.81 g/mol. Its IUPAC name is 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene.

Molecular Properties

Compound Name6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene
PubChem CID141098179
Molecular FormulaC17H14ClF3OS
Molecular Weight358.81 g/mol
Exact Mass358.04
IUPAC Name6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene
SMILESCCC1(C(F)(F)F)C=Cc2cc(Cl)c(Cc3ccsc3)cc2O1
InChIInChI=1S/C17H14ClF3OS/c1-2-16(17(19,20)21)5-3-12-8-14(18)13(9-15(12)22-16)7-11-4-6-23-10-11/h3-6,8-10H,2,7H2,1H3
InChIKeyXZUDRBDOCYTBFI-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.81
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene?
The IUPAC name of 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene (CID 141098179) is 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene.
What is the SMILES notation for 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene?
The canonical SMILES for 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene is CCC1(C(F)(F)F)C=Cc2cc(Cl)c(Cc3ccsc3)cc2O1.
What is the InChIKey of 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene?
The InChIKey is XZUDRBDOCYTBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3OS/c1-2-16(17(19,20)21)5-3-12-8-14(18)13(9-15(12)22-16)7-11-4-6-23-10-11/h3-6,8-10H,2,7H2,1H3.
What are the key properties of 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene?
6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene has a molecular weight of 358.81 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-7-(thiophen-3-ylmethyl)-2-(trifluoromethyl)chromene is sourced from PubChem (CID 141098179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).