2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol

C11H14F10O5S2 — CID 88964968

IUPAC2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol
SMILESCCCC(CO)CC(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O5S2/c1-2-3-6(5-22)4-7(27(23,24)10(18,19)8(12,13)14)28(25,26)11(20,21)9(15,16)17/h6-7,22H,2-5H2,1H3
InChIKeyMXVXGWYIQQNPOW-UHFFFAOYSA-N
MW480.34 g/mol
LogP3.25
Rot. Bonds9

About 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol

2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol (PubChem CID 88964968) has the molecular formula C11H14F10O5S2 and a molecular weight of 480.34 g/mol. Its IUPAC name is 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol.

Molecular Properties

Compound Name2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol
PubChem CID88964968
Molecular FormulaC11H14F10O5S2
Molecular Weight480.34 g/mol
Exact Mass480.01
IUPAC Name2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol
SMILESCCCC(CO)CC(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H14F10O5S2/c1-2-3-6(5-22)4-7(27(23,24)10(18,19)8(12,13)14)28(25,26)11(20,21)9(15,16)17/h6-7,22H,2-5H2,1H3
InChIKeyMXVXGWYIQQNPOW-UHFFFAOYSA-N
XLogP3.25
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol?
The IUPAC name of 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol (CID 88964968) is 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol.
What is the SMILES notation for 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol?
The canonical SMILES for 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol is CCCC(CO)CC(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol?
The InChIKey is MXVXGWYIQQNPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F10O5S2/c1-2-3-6(5-22)4-7(27(23,24)10(18,19)8(12,13)14)28(25,26)11(20,21)9(15,16)17/h6-7,22H,2-5H2,1H3.
What are the key properties of 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol?
2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol has a molecular weight of 480.34 g/mol, XLogP of 3.25, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(1,1,2,2,2-pentafluoroethylsulfonyl)ethyl]pentan-1-ol is sourced from PubChem (CID 88964968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).