ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene

C18H16F4O2 — CID 153338729

IUPACethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene
SMILESCC.Fc1ccc(C2=CCOc3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C16H10F4O2.C2H6/c17-11-3-1-10(2-4-11)13-7-8-21-15-6-5-12(9-14(13)15)22-16(18,19)20;1-2/h1-7,9H,8H2;1-2H3
InChIKeyZKCIHQFJDFLENW-UHFFFAOYSA-N
MW340.32 g/mol
LogP5.57
Rot. Bonds2

About ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene

ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene (PubChem CID 153338729) has the molecular formula C18H16F4O2 and a molecular weight of 340.32 g/mol. Its IUPAC name is ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene.

Molecular Properties

Compound Nameethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene
PubChem CID153338729
Molecular FormulaC18H16F4O2
Molecular Weight340.32 g/mol
Exact Mass340.11
IUPAC Nameethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene
SMILESCC.Fc1ccc(C2=CCOc3ccc(OC(F)(F)F)cc32)cc1
InChIInChI=1S/C16H10F4O2.C2H6/c17-11-3-1-10(2-4-11)13-7-8-21-15-6-5-12(9-14(13)15)22-16(18,19)20;1-2/h1-7,9H,8H2;1-2H3
InChIKeyZKCIHQFJDFLENW-UHFFFAOYSA-N
XLogP5.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(4-fluorophenyl)-2H-chromen-6-yl]methanol
CID 118343515
[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 139445464
[4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromen-3-yl]-pyrrolidin-1-ylmethanone
CID 139445471
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
methyl 4-(3,5-difluorophenyl)-2H-chromene-6-carboxylate
CID 58406748
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 166640991
1,2-dichloro-4-[2-chloro-5-(trifluoromethoxy)phenyl]benzene
CID 119016186
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 168665296
(3R)-3-(bromomethyl)-6-(trifluoromethoxy)-2,3-dihydro-1,4-benzodioxine
CID 90273088

Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene?
The IUPAC name of ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene (CID 153338729) is ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene.
What is the SMILES notation for ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene?
The canonical SMILES for ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene is CC.Fc1ccc(C2=CCOc3ccc(OC(F)(F)F)cc32)cc1.
What is the InChIKey of ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene?
The InChIKey is ZKCIHQFJDFLENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4O2.C2H6/c17-11-3-1-10(2-4-11)13-7-8-21-15-6-5-12(9-14(13)15)22-16(18,19)20;1-2/h1-7,9H,8H2;1-2H3.
What are the key properties of ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene?
ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene has a molecular weight of 340.32 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-fluorophenyl)-6-(trifluoromethoxy)-2H-chromene is sourced from PubChem (CID 153338729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).