[4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol

C7H13F2NO4S — CID 102934959

IUPAC[4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)C(F)F)CC(CO)O1
InChIInChI=1S/C7H13F2NO4S/c1-5-2-10(3-6(4-11)14-5)15(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyPQCOMNLIROEQQT-UHFFFAOYSA-N
MW245.25 g/mol
LogP-0.38
Rot. Bonds3

About [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol

[4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol (PubChem CID 102934959) has the molecular formula C7H13F2NO4S and a molecular weight of 245.25 g/mol. Its IUPAC name is [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol
PubChem CID102934959
Molecular FormulaC7H13F2NO4S
Molecular Weight245.25 g/mol
Exact Mass245.05
IUPAC Name[4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)C(F)F)CC(CO)O1
InChIInChI=1S/C7H13F2NO4S/c1-5-2-10(3-6(4-11)14-5)15(12,13)7(8)9/h5-7,11H,2-4H2,1H3
InChIKeyPQCOMNLIROEQQT-UHFFFAOYSA-N
XLogP-0.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol (CID 102934959) is [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)C(F)F)CC(CO)O1.
What is the InChIKey of [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol?
The InChIKey is PQCOMNLIROEQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO4S/c1-5-2-10(3-6(4-11)14-5)15(12,13)7(8)9/h5-7,11H,2-4H2,1H3.
What are the key properties of [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol?
[4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol has a molecular weight of 245.25 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethylsulfonyl)-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102934959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).