6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene

C18H16F4O — CID 58660785

IUPAC6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCc1ccc(-c2ccc3c(c2)CCC(C(F)(F)F)O3)c(F)c1
InChIInChI=1S/C18H16F4O/c1-2-11-3-6-14(15(19)9-11)12-4-7-16-13(10-12)5-8-17(23-16)18(20,21)22/h3-4,6-7,9-10,17H,2,5,8H2,1H3
InChIKeyJYDLEBZLNDJNLL-UHFFFAOYSA-N
MW324.32 g/mol
LogP5.31
Rot. Bonds2

About 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene

6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 58660785) has the molecular formula C18H16F4O and a molecular weight of 324.32 g/mol. Its IUPAC name is 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID58660785
Molecular FormulaC18H16F4O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCc1ccc(-c2ccc3c(c2)CCC(C(F)(F)F)O3)c(F)c1
InChIInChI=1S/C18H16F4O/c1-2-11-3-6-14(15(19)9-11)12-4-7-16-13(10-12)5-8-17(23-16)18(20,21)22/h3-4,6-7,9-10,17H,2,5,8H2,1H3
InChIKeyJYDLEBZLNDJNLL-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.32
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 58660785) is 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene is CCc1ccc(-c2ccc3c(c2)CCC(C(F)(F)F)O3)c(F)c1.
What is the InChIKey of 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is JYDLEBZLNDJNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4O/c1-2-11-3-6-14(15(19)9-11)12-4-7-16-13(10-12)5-8-17(23-16)18(20,21)22/h3-4,6-7,9-10,17H,2,5,8H2,1H3.
What are the key properties of 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 324.32 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-fluorophenyl)-2-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).