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

C19H26F2O2 — CID 15114006

IUPAC2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(c3ccc(F)c(F)c3)CC2)OC1
InChIInChI=1S/C19H26F2O2/c1-2-3-13-11-22-19(23-12-13)15-6-4-14(5-7-15)16-8-9-17(20)18(21)10-16/h8-10,13-15,19H,2-7,11-12H2,1H3
InChIKeyFDZXHSNXUGLDGD-UHFFFAOYSA-N
MW324.41 g/mol
LogP5.03
Rot. Bonds4

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

2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane (PubChem CID 15114006) has the molecular formula C19H26F2O2 and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
PubChem CID15114006
Molecular FormulaC19H26F2O2
Molecular Weight324.41 g/mol
Exact Mass324.19
IUPAC Name2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane
SMILESCCCC1COC(C2CCC(c3ccc(F)c(F)c3)CC2)OC1
InChIInChI=1S/C19H26F2O2/c1-2-3-13-11-22-19(23-12-13)15-6-4-14(5-7-15)16-8-9-17(20)18(21)10-16/h8-10,13-15,19H,2-7,11-12H2,1H3
InChIKeyFDZXHSNXUGLDGD-UHFFFAOYSA-N
XLogP5.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclamen aldehyde diethyl acetal
CID 23534
5,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxane
CID 97791
2-(3,4,5-Trifluorophenyl)-5-(4-ethylcyclohexyl)-1,3-dioxane
CID 23574083
trans-5-Butyl-2-(3',3'',4'',5''-tetrafluoro-1,1':4',1''-terphenyl-4-yl)-1,3-dioxane
CID 132042669
5,5-Dimethyl-2-(2-phenylethyl)-1,3-dioxane
CID 228928
4-[4-(3,4,5-Trifluorophenyl)phenyl]oxane
CID 163420629
2H-Pyran, 2-butoxy-3,4-dihydro-4-phenyl-
CID 101645
2-Phenyl-1-cyclopropanecarboxaldehyde diethyl acetal
CID 5123729
4,4,6-Trimethyl-2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-1,3-dioxane
CID 11971365
8-[4-(2,3-Difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
CID 11045760
Benzene, 1-(3,3-diethoxy-2-methylpropyl)-4-methyl-
CID 44153908
(3R,3aS,7aR)-3-[(4-fluorophenyl)methyl]-3,3a,4,5,6,7a-hexahydro-2H-furo[2,3-b]pyran
CID 57522640

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The IUPAC name of 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane (CID 15114006) is 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane is CCCC1COC(C2CCC(c3ccc(F)c(F)c3)CC2)OC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
The InChIKey is FDZXHSNXUGLDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2O2/c1-2-3-13-11-22-19(23-12-13)15-6-4-14(5-7-15)16-8-9-17(20)18(21)10-16/h8-10,13-15,19H,2-7,11-12H2,1H3.
What are the key properties of 2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane?
2-[4-(3,4-difluorophenyl)cyclohexyl]-5-propyl-1,3-dioxane has a molecular weight of 324.41 g/mol, XLogP of 5.03, 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)cyclohexyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 15114006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).