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

C19H18F4O2 — CID 54040970

IUPAC2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)OC1
InChIInChI=1S/C19H18F4O2/c1-2-3-11-9-24-19(25-10-11)13-7-16(22)18(17(23)8-13)12-4-5-14(20)15(21)6-12/h4-8,11,19H,2-3,9-10H2,1H3
InChIKeyLMHSBHNMOUZCKW-UHFFFAOYSA-N
MW354.34 g/mol
LogP5.37
Rot. Bonds4

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

2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane (PubChem CID 54040970) has the molecular formula C19H18F4O2 and a molecular weight of 354.34 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
PubChem CID54040970
Molecular FormulaC19H18F4O2
Molecular Weight354.34 g/mol
Exact Mass354.12
IUPAC Name2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)OC1
InChIInChI=1S/C19H18F4O2/c1-2-3-11-9-24-19(25-10-11)13-7-16(22)18(17(23)8-13)12-4-5-14(20)15(21)6-12/h4-8,11,19H,2-3,9-10H2,1H3
InChIKeyLMHSBHNMOUZCKW-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.34
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-chlorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane
CID 54471568
2-[4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]phenyl]-5-pentyl-1,3-dioxane
CID 118459119
4-[4-[2,6-difluoro-4-(5-propyl-1,3-dioxan-2-yl)phenyl]-2,6-difluorophenyl]-2,6-difluorobenzonitrile
CID 175875476
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyl-1,3-dioxane
CID 54250531
2-[2-[3-chloro-4-(3,4-difluorophenyl)-5-fluorophenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656599
2-[4-[bromo(difluoro)methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane;1,3-difluoro-5-methoxybenzene;4-(3,4-difluorophenyl)-3,5-difluorophenol;bis(2-(3,5-difluorophenyl)-5-propyl-1,3-dioxane);2-propylpropane-1,3-diol
CID 160584869
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
2-[4-[difluoro-[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenoxy]methyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane
CID 59329941
2-(4-bromo-3,5-difluorophenyl)-5-pentyl-1,3-dioxane
CID 18961528
2-[4-[4-(3,4-difluorophenyl)-3-fluorophenyl]cyclohexyl]-5-propyl-1,3-dioxane
CID 20656739
2-[2-[4-(4-chlorophenyl)-3,5-difluorophenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656655

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane (CID 54040970) is 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane is CCCC1COC(c2cc(F)c(-c3ccc(F)c(F)c3)c(F)c2)OC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
The InChIKey is LMHSBHNMOUZCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4O2/c1-2-3-11-9-24-19(25-10-11)13-7-16(22)18(17(23)8-13)12-4-5-14(20)15(21)6-12/h4-8,11,19H,2-3,9-10H2,1H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane?
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane has a molecular weight of 354.34 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 54040970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).