[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine

C12H16F2N2O3S — CID 83095666

IUPAC[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H16F2N2O3S/c13-12(14)20(17,18)11-3-1-9(2-4-11)16-5-6-19-8-10(16)7-15/h1-4,10,12H,5-8,15H2
InChIKeyUCBFHJWWGYTFLL-UHFFFAOYSA-N
MW306.33 g/mol
LogP0.85
Rot. Bonds4

About [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine

[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine (PubChem CID 83095666) has the molecular formula C12H16F2N2O3S and a molecular weight of 306.33 g/mol. Its IUPAC name is [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine
PubChem CID83095666
Molecular FormulaC12H16F2N2O3S
Molecular Weight306.33 g/mol
Exact Mass306.08
IUPAC Name[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H16F2N2O3S/c13-12(14)20(17,18)11-3-1-9(2-4-11)16-5-6-19-8-10(16)7-15/h1-4,10,12H,5-8,15H2
InChIKeyUCBFHJWWGYTFLL-UHFFFAOYSA-N
XLogP0.85
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine (CID 83095666) is [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine is NCC1COCCN1c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine?
The InChIKey is UCBFHJWWGYTFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3S/c13-12(14)20(17,18)11-3-1-9(2-4-11)16-5-6-19-8-10(16)7-15/h1-4,10,12H,5-8,15H2.
What are the key properties of [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine?
[4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine has a molecular weight of 306.33 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(difluoromethylsulfonyl)phenyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 83095666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).