8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene

C23H30F4O3 — CID 58660379

IUPAC8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCCC1COC(C2CCC(c3cc(F)c4c(c3)CCC(C(F)(F)F)O4)CC2)OC1
InChIInChI=1S/C23H30F4O3/c1-2-3-14-12-28-22(29-13-14)16-6-4-15(5-7-16)18-10-17-8-9-20(23(25,26)27)30-21(17)19(24)11-18/h10-11,14-16,20,22H,2-9,12-13H2,1H3
InChIKeyRPGJMRSEXHOTLL-UHFFFAOYSA-N
MW430.48 g/mol
LogP6.14
Rot. Bonds4

About 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene

8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 58660379) has the molecular formula C23H30F4O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID58660379
Molecular FormulaC23H30F4O3
Molecular Weight430.48 g/mol
Exact Mass430.21
IUPAC Name8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESCCCC1COC(C2CCC(c3cc(F)c4c(c3)CCC(C(F)(F)F)O4)CC2)OC1
InChIInChI=1S/C23H30F4O3/c1-2-3-14-12-28-22(29-13-14)16-6-4-15(5-7-16)18-10-17-8-9-20(23(25,26)27)30-21(17)19(24)11-18/h10-11,14-16,20,22H,2-9,12-13H2,1H3
InChIKeyRPGJMRSEXHOTLL-UHFFFAOYSA-N
XLogP6.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene with MolForge

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Related Compounds

2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-propyl-1,3-dioxane
CID 20656727
5-nonyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]-1,3-dioxane
CID 150918398
2-[4-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 134222409
2-[4-(3-fluoro-4-methylphenyl)cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656726
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656739
5-(4-butylcyclohexyl)-2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-1,3-dioxane
CID 20656876
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 20654003
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]cyclohexyl]-5-(methoxymethyl)-1,3-dioxane
CID 122500670
2-[4-[3-fluoro-4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]phenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656717
2-[chloro(difluoro)methyl]-1,3-difluoro-5-(4-fluorocyclohexyl)benzene;2-[4-(2-fluoroethyl)cyclohexyl]-5-pentyl-1,3-dioxane
CID 158294877
2-[4-[3-fluoro-4-(1,1,2,2-tetrafluoroethoxy)phenyl]cyclohexyl]-5-(4-propylcyclohexyl)-1,3-dioxane
CID 20656713

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 58660379) is 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene is CCCC1COC(C2CCC(c3cc(F)c4c(c3)CCC(C(F)(F)F)O4)CC2)OC1.
What is the InChIKey of 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is RPGJMRSEXHOTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4O3/c1-2-3-14-12-28-22(29-13-14)16-6-4-15(5-7-16)18-10-17-8-9-20(23(25,26)27)30-21(17)19(24)11-18/h10-11,14-16,20,22H,2-9,12-13H2,1H3.
What are the key properties of 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene?
8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 430.48 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[4-(5-propyl-1,3-dioxan-2-yl)cyclohexyl]-2-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 58660379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).