5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

C9H17F4NO3S — CID 103474900

IUPAC5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCS(=O)(=O)CCCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO3S/c1-18(15,16)4-2-3-7(14)5-17-6-9(12,13)8(10)11/h7-8H,2-6,14H2,1H3
InChIKeyJWXLRBJVCQLOCC-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.06
Rot. Bonds9

About 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (PubChem CID 103474900) has the molecular formula C9H17F4NO3S and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.

Molecular Properties

Compound Name5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
PubChem CID103474900
Molecular FormulaC9H17F4NO3S
Molecular Weight295.30 g/mol
Exact Mass295.09
IUPAC Name5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCS(=O)(=O)CCCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO3S/c1-18(15,16)4-2-3-7(14)5-17-6-9(12,13)8(10)11/h7-8H,2-6,14H2,1H3
InChIKeyJWXLRBJVCQLOCC-UHFFFAOYSA-N
XLogP1.06
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The IUPAC name of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (CID 103474900) is 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.
What is the SMILES notation for 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The canonical SMILES for 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is CS(=O)(=O)CCCC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The InChIKey is JWXLRBJVCQLOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO3S/c1-18(15,16)4-2-3-7(14)5-17-6-9(12,13)8(10)11/h7-8H,2-6,14H2,1H3.
What are the key properties of 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine has a molecular weight of 295.30 g/mol, XLogP of 1.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is sourced from PubChem (CID 103474900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).