(2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane

C11H21FO3S — CID 159610849

IUPAC(2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane
SMILESCOCCC(C)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H21FO3S/c1-11(12,8-9-15-2)16(13,14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyPVVRDGQGPIEWNZ-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.46
Rot. Bonds5

About (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane

(2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane (PubChem CID 159610849) has the molecular formula C11H21FO3S and a molecular weight of 252.35 g/mol. Its IUPAC name is (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane.

Molecular Properties

Compound Name(2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane
PubChem CID159610849
Molecular FormulaC11H21FO3S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name(2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane
SMILESCOCCC(C)(F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C11H21FO3S/c1-11(12,8-9-15-2)16(13,14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3
InChIKeyPVVRDGQGPIEWNZ-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane?
The IUPAC name of (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane (CID 159610849) is (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane.
What is the SMILES notation for (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane?
The canonical SMILES for (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane is COCCC(C)(F)S(=O)(=O)C1CCCCC1.
What is the InChIKey of (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane?
The InChIKey is PVVRDGQGPIEWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO3S/c1-11(12,8-9-15-2)16(13,14)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane?
(2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane has a molecular weight of 252.35 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxybutan-2-yl)sulfonylcyclohexane is sourced from PubChem (CID 159610849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).