6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene

C20H18F6O3 — CID 59795416

IUPAC6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2cc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)cc2O1
InChIInChI=1S/C20H18F6O3/c1-2-3-13-5-4-12-10-16(17(21)11-18(12)27-13)19(22,23)28-14-6-8-15(9-7-14)29-20(24,25)26/h6-11,13H,2-5H2,1H3
InChIKeyIEMQHHLYYGWPFF-UHFFFAOYSA-N
MW420.35 g/mol
LogP6.35
Rot. Bonds6

About 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene

6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene (PubChem CID 59795416) has the molecular formula C20H18F6O3 and a molecular weight of 420.35 g/mol. Its IUPAC name is 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene
PubChem CID59795416
Molecular FormulaC20H18F6O3
Molecular Weight420.35 g/mol
Exact Mass420.12
IUPAC Name6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene
SMILESCCCC1CCc2cc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)cc2O1
InChIInChI=1S/C20H18F6O3/c1-2-3-13-5-4-12-10-16(17(21)11-18(12)27-13)19(22,23)28-14-6-8-15(9-7-14)29-20(24,25)26/h6-11,13H,2-5H2,1H3
InChIKeyIEMQHHLYYGWPFF-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.35
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-7-methyl-2-propyl-3,4-dihydro-2H-chromene
CID 139973361
2-(2-fluoroethyl)-6-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]-3,4-dihydro-2H-chromene
CID 58660586
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]-5-propyloxolane
CID 58555728
7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene
CID 11535833
7-fluoro-2-propyl-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853557
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852312
6-[(4-butylcyclohexyl)oxymethyl]-7,8-dichloro-2-methyl-3,4-dihydro-2H-chromene;6-[difluoro-(4-methoxyphenoxy)methyl]-8-fluoro-7-methyl-2-propyl-3,4-dihydro-2H-chromene;8-(difluoromethyl)-6-[(4-ethylphenoxy)-difluoromethyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene;6-[difluoro-(4-pentylcyclohexyl)methoxy]-2-ethyl-3,4-dihydro-2H-chromene-7,8-dicarbonitrile;6-[difluoro-(4-propylcyclohexyl)methoxy]-7,8-difluoro-2-propyl-3,4-dihydro-2H-chromene;6-[difluoro-(4-propylcyclohexyl)methoxy]-2-propyl-7-(trifluoromethoxy)-3,4-dihydro-2H-chromene;6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene;6-[(4-ethylcyclohexyl)-difluoromethoxy]-8-fluoro-2-pentyl-3,4-dihydro-2H-chromene;hydrofluoride
CID 159791194
1-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 19695352
5-butyl-2-[4-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3-fluorophenyl]-1,3-dioxane
CID 154526955
2-[(3,4-difluorophenoxy)-difluoromethyl]-5-propyloxolane
CID 58555668
1-[[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]-3-fluorophenoxy]-difluoromethyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118592730
2-(4-butylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852159

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene (CID 59795416) is 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene is CCCC1CCc2cc(C(F)(F)Oc3ccc(OC(F)(F)F)cc3)c(F)cc2O1.
What is the InChIKey of 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene?
The InChIKey is IEMQHHLYYGWPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6O3/c1-2-3-13-5-4-12-10-16(17(21)11-18(12)27-13)19(22,23)28-14-6-8-15(9-7-14)29-20(24,25)26/h6-11,13H,2-5H2,1H3.
What are the key properties of 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene?
6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene has a molecular weight of 420.35 g/mol, XLogP of 6.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-7-fluoro-2-propyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 59795416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).