3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine

C11H18F5NO3S — CID 123707228

IUPAC3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
SMILESO=S(=O)(CCCC(F)(F)C(F)(F)F)CCC1COCCN1
InChIInChI=1S/C11H18F5NO3S/c12-10(13,11(14,15)16)3-1-6-21(18,19)7-2-9-8-20-5-4-17-9/h9,17H,1-8H2
InChIKeyFCCVREXIHYPBKN-UHFFFAOYSA-N
MW339.33 g/mol
LogP1.76
Rot. Bonds7

About 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine

3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine (PubChem CID 123707228) has the molecular formula C11H18F5NO3S and a molecular weight of 339.33 g/mol. Its IUPAC name is 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
PubChem CID123707228
Molecular FormulaC11H18F5NO3S
Molecular Weight339.33 g/mol
Exact Mass339.09
IUPAC Name3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
SMILESO=S(=O)(CCCC(F)(F)C(F)(F)F)CCC1COCCN1
InChIInChI=1S/C11H18F5NO3S/c12-10(13,11(14,15)16)3-1-6-21(18,19)7-2-9-8-20-5-4-17-9/h9,17H,1-8H2
InChIKeyFCCVREXIHYPBKN-UHFFFAOYSA-N
XLogP1.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 51.76
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

N-(2-Methoxyethyl)-3-[(4,4,5,5,5-pentafluoropentyl)sulphonyl]propane-1-amine
CID 86696819
(3R)-3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine
CID 117928063
1,1-dioxo-N-[3-(2,2,2-trifluoroethoxy)propyl]thian-4-amine
CID 54961920
N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 60733354
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 61490839
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thiolan-3-amine
CID 61492634
1-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-4-amine
CID 63828893
1,1-dioxo-N-[3-(2,2,2-trifluoroethoxy)propyl]thian-3-amine
CID 63924323
1,1-dioxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]thian-3-amine
CID 63924619
1-methylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-2-amine
CID 64630782
3-ethylsulfonyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 65092902
1,1-dioxo-N-[2-(trifluoromethoxy)ethyl]thian-3-amine
CID 65805832

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine?
The IUPAC name of 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine (CID 123707228) is 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine?
The canonical SMILES for 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine is O=S(=O)(CCCC(F)(F)C(F)(F)F)CCC1COCCN1.
What is the InChIKey of 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine?
The InChIKey is FCCVREXIHYPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5NO3S/c12-10(13,11(14,15)16)3-1-6-21(18,19)7-2-9-8-20-5-4-17-9/h9,17H,1-8H2.
What are the key properties of 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine?
3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine has a molecular weight of 339.33 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4,5,5,5-pentafluoropentylsulfonyl)ethyl]morpholine is sourced from PubChem (CID 123707228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).