2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane

C19H19ClF2O2 — CID 54471568

IUPAC2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2cc(F)c(-c3ccc(Cl)cc3)c(F)c2)OC1
InChIInChI=1S/C19H19ClF2O2/c1-2-3-12-10-23-19(24-11-12)14-8-16(21)18(17(22)9-14)13-4-6-15(20)7-5-13/h4-9,12,19H,2-3,10-11H2,1H3
InChIKeyXISNHYGPOIDSFB-UHFFFAOYSA-N
MW352.81 g/mol
LogP5.75
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane

2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane (PubChem CID 54471568) has the molecular formula C19H19ClF2O2 and a molecular weight of 352.81 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
PubChem CID54471568
Molecular FormulaC19H19ClF2O2
Molecular Weight352.81 g/mol
Exact Mass352.10
IUPAC Name2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2cc(F)c(-c3ccc(Cl)cc3)c(F)c2)OC1
InChIInChI=1S/C19H19ClF2O2/c1-2-3-12-10-23-19(24-11-12)14-8-16(21)18(17(22)9-14)13-4-6-15(20)7-5-13/h4-9,12,19H,2-3,10-11H2,1H3
InChIKeyXISNHYGPOIDSFB-UHFFFAOYSA-N
XLogP5.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.81
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
CID 54040970
4-[4-[2,6-difluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]-2,6-difluorophenyl]-2,6-difluorobenzonitrile
CID 175875476
2-[2-[4-(4-chlorophenyl)-3,5-difluorophenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656655
2-[4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]phenyl]-5-pentyl-1,3-dioxane
CID 118459119
2-(4-chlorophenyl)-1,3-difluoro-5-[(4-propylcyclohexyl)methyl]benzene
CID 139696595
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyl-1,3-dioxane
CID 54250531
2-(4-bromo-3,5-difluorophenyl)-5-pentyl-1,3-dioxane
CID 18961528
2-(3-fluorophenyl)-5-propyl-1,3-dioxane
CID 54244668
2-[2-[3-chloro-4-(3,4-difluorophenyl)-5-fluorophenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656599
2-[6-[2-(4-chlorophenyl)ethyl]-5-fluoronaphthalen-2-yl]-5-propyl-1,3-dioxane
CID 139873045
2-[3,5-difluoro-4-[2-(3-fluoro-4-methylphenyl)ethynyl]phenyl]-5-propyl-1,3-dioxane
CID 67685872
2-[4-[2-(6,7-difluoronaphthalen-2-yl)ethynyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane
CID 139859068

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane (CID 54471568) is 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane is CCCC1COC(c2cc(F)c(-c3ccc(Cl)cc3)c(F)c2)OC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
The InChIKey is XISNHYGPOIDSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2O2/c1-2-3-12-10-23-19(24-11-12)14-8-16(21)18(17(22)9-14)13-4-6-15(20)7-5-13/h4-9,12,19H,2-3,10-11H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane has a molecular weight of 352.81 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 54471568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).