1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene

C16H21FO3S — CID 134459286

IUPAC1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(C2CC2)c(OC2CCCCC2)cc1F
InChIInChI=1S/C16H21FO3S/c1-21(18,19)16-9-13(11-7-8-11)15(10-14(16)17)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3
InChIKeyLUBJMWXPVHHUGC-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.82
Rot. Bonds4

About 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene

1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene (PubChem CID 134459286) has the molecular formula C16H21FO3S and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene
PubChem CID134459286
Molecular FormulaC16H21FO3S
Molecular Weight312.41 g/mol
Exact Mass312.12
IUPAC Name1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene
SMILESCS(=O)(=O)c1cc(C2CC2)c(OC2CCCCC2)cc1F
InChIInChI=1S/C16H21FO3S/c1-21(18,19)16-9-13(11-7-8-11)15(10-14(16)17)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3
InChIKeyLUBJMWXPVHHUGC-UHFFFAOYSA-N
XLogP3.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene?
The IUPAC name of 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene (CID 134459286) is 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene.
What is the SMILES notation for 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene?
The canonical SMILES for 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene is CS(=O)(=O)c1cc(C2CC2)c(OC2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene?
The InChIKey is LUBJMWXPVHHUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3S/c1-21(18,19)16-9-13(11-7-8-11)15(10-14(16)17)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3.
What are the key properties of 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene?
1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene has a molecular weight of 312.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-2-cyclopropyl-5-fluoro-4-methylsulfonylbenzene is sourced from PubChem (CID 134459286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).