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

C10H19F4NO3S — CID 103474801

IUPAC5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO3S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h8-9H,2-7,15H2,1H3
InChIKeyYYYSHFISKHMWHG-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.45
Rot. Bonds10

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

5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (PubChem CID 103474801) has the molecular formula C10H19F4NO3S and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.

Molecular Properties

Compound Name5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
PubChem CID103474801
Molecular FormulaC10H19F4NO3S
Molecular Weight309.33 g/mol
Exact Mass309.10
IUPAC Name5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESCCS(=O)(=O)CCCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO3S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h8-9H,2-7,15H2,1H3
InChIKeyYYYSHFISKHMWHG-UHFFFAOYSA-N
XLogP1.45
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475213
5-ethylsulfonyl-N-methyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 103215423
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
1-(2,2,3,3-tetrafluoropropylsulfonyl)butane
CID 2259897
1-(2,2-difluoroethoxy)-6-methylsulfonylhexan-3-amine
CID 103149027
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474803
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The IUPAC name of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (CID 103474801) is 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.
What is the SMILES notation for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The canonical SMILES for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is CCS(=O)(=O)CCCC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The InChIKey is YYYSHFISKHMWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO3S/c1-2-19(16,17)5-3-4-8(15)6-18-7-10(13,14)9(11)12/h8-9H,2-7,15H2,1H3.
What are the key properties of 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine has a molecular weight of 309.33 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is sourced from PubChem (CID 103474801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).