2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane

C19H26BrFO2 — CID 19738725

IUPAC2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(c3ccc(Br)c(F)c3)OC2)CC1
InChIInChI=1S/C19H26BrFO2/c1-2-3-13-4-6-14(7-5-13)16-11-22-19(23-12-16)15-8-9-17(20)18(21)10-15/h8-10,13-14,16,19H,2-7,11-12H2,1H3
InChIKeyVCKSKEVQSBBCNU-UHFFFAOYSA-N
MW385.32 g/mol
LogP5.86
Rot. Bonds4

About 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane

2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane (PubChem CID 19738725) has the molecular formula C19H26BrFO2 and a molecular weight of 385.32 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane
PubChem CID19738725
Molecular FormulaC19H26BrFO2
Molecular Weight385.32 g/mol
Exact Mass384.11
IUPAC Name2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane
SMILESCCCC1CCC(C2COC(c3ccc(Br)c(F)c3)OC2)CC1
InChIInChI=1S/C19H26BrFO2/c1-2-3-13-4-6-14(7-5-13)16-11-22-19(23-12-16)15-8-9-17(20)18(21)10-15/h8-10,13-14,16,19H,2-7,11-12H2,1H3
InChIKeyVCKSKEVQSBBCNU-UHFFFAOYSA-N
XLogP5.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.32
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Orthobenzoic acid, p-bromo-, cyclic ester with 2-tert-butyl-2-(hydroxymethyl)-1,3-propanediol
CID 175731
Orthobenzoic acid, p-bromo-, cyclic ester with 2-cyclohexyl-2-(hydroxymethyl)-1,3-propanediol
CID 175732
1-Bromo-4-(diethoxymethyl)benzene
CID 688340
2-Bromo-1-(diethoxymethyl)-4-fluorobenzene
CID 18357605
2-(3,4,5-Trifluorophenyl)-5-(4-ethylcyclohexyl)-1,3-dioxane
CID 23574083
(2R,4aR,7R,8aR)-2-(4-bromophenyl)-4-fluoro-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene
CID 162662994
5-Bromo-2-(diethoxymethyl)-1,3-difluorobenzene
CID 58335267
2-[(4-Bromophenyl)methoxy]oxane
CID 598168
2-(4-Bromophenyl)-1,3-dioxane
CID 11075643
4-Bromo-1-(dimethoxymethyl)-2-fluorobenzene
CID 18426821
2-(4-Bromophenyl)-5-hexyl-1,3-dioxane
CID 4370247
2-(2-Bromo-4-fluorophenyl)-5,5-dimethyl-1,3-dioxane
CID 131844936

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
The IUPAC name of 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane (CID 19738725) is 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane.
What is the SMILES notation for 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
The canonical SMILES for 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane is CCCC1CCC(C2COC(c3ccc(Br)c(F)c3)OC2)CC1.
What is the InChIKey of 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
The InChIKey is VCKSKEVQSBBCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26BrFO2/c1-2-3-13-4-6-14(7-5-13)16-11-22-19(23-12-16)15-8-9-17(20)18(21)10-15/h8-10,13-14,16,19H,2-7,11-12H2,1H3.
What are the key properties of 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane?
2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane has a molecular weight of 385.32 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane is sourced from PubChem (CID 19738725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).