3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine

C12H24FNO3S — CID 106735980

IUPAC3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine
SMILESCC(C)S(=O)(=O)CCC(C)(F)CC1COCCN1
InChIInChI=1S/C12H24FNO3S/c1-10(2)18(15,16)7-4-12(3,13)8-11-9-17-6-5-14-11/h10-11,14H,4-9H2,1-3H3
InChIKeyUDCHZCWRQJMOON-UHFFFAOYSA-N
MW281.39 g/mol
LogP1.31
Rot. Bonds6

About 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine

3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine (PubChem CID 106735980) has the molecular formula C12H24FNO3S and a molecular weight of 281.39 g/mol. Its IUPAC name is 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine.

Molecular Properties

Compound Name3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine
PubChem CID106735980
Molecular FormulaC12H24FNO3S
Molecular Weight281.39 g/mol
Exact Mass281.15
IUPAC Name3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine
SMILESCC(C)S(=O)(=O)CCC(C)(F)CC1COCCN1
InChIInChI=1S/C12H24FNO3S/c1-10(2)18(15,16)7-4-12(3,13)8-11-9-17-6-5-14-11/h10-11,14H,4-9H2,1-3H3
InChIKeyUDCHZCWRQJMOON-UHFFFAOYSA-N
XLogP1.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine?
The IUPAC name of 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine (CID 106735980) is 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine.
What is the SMILES notation for 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine?
The canonical SMILES for 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine is CC(C)S(=O)(=O)CCC(C)(F)CC1COCCN1.
What is the InChIKey of 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine?
The InChIKey is UDCHZCWRQJMOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO3S/c1-10(2)18(15,16)7-4-12(3,13)8-11-9-17-6-5-14-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine?
3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine has a molecular weight of 281.39 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methyl-4-propan-2-ylsulfonylbutyl)morpholine is sourced from PubChem (CID 106735980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).