[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol

C10H18F3NO4S — CID 83058648

IUPAC[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-8-7-18-9(6-15)5-14(8)19(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyJQPOBAPFZHQUSH-UHFFFAOYSA-N
MW305.32 g/mol
LogP0.74
Rot. Bonds5

About [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol

[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol (PubChem CID 83058648) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
PubChem CID83058648
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-8-7-18-9(6-15)5-14(8)19(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyJQPOBAPFZHQUSH-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol (CID 83058648) is [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol is CC1COC(CO)CN1S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
The InChIKey is JQPOBAPFZHQUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-8-7-18-9(6-15)5-14(8)19(16,17)4-2-3-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol?
[5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol has a molecular weight of 305.32 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol is sourced from PubChem (CID 83058648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).