2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide

C7H7F8NOS — CID 6425964

IUPAC2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide
SMILESOCCNC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H7F8NOS/c8-3(9)5(10,11)7(14,15)6(12,13)4(18)16-1-2-17/h3,17H,1-2H2,(H,16,18)
InChIKeyXNPMLQRMKRITKM-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.07
Rot. Bonds6

About 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide

2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide (PubChem CID 6425964) has the molecular formula C7H7F8NOS and a molecular weight of 305.19 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide
PubChem CID6425964
Molecular FormulaC7H7F8NOS
Molecular Weight305.19 g/mol
Exact Mass305.01
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide
SMILESOCCNC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H7F8NOS/c8-3(9)5(10,11)7(14,15)6(12,13)4(18)16-1-2-17/h3,17H,1-2H2,(H,16,18)
InChIKeyXNPMLQRMKRITKM-UHFFFAOYSA-N
XLogP2.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2,2,3,3,4,4,5,5-octafluoropentyl 2,2,3,3,4,4,5,5-octafluoropentanoate
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trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
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1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexacosafluorotridecan-1-ol
CID 118339748

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide (CID 6425964) is 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide is OCCNC(=S)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide?
The InChIKey is XNPMLQRMKRITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F8NOS/c8-3(9)5(10,11)7(14,15)6(12,13)4(18)16-1-2-17/h3,17H,1-2H2,(H,16,18).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide?
2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide has a molecular weight of 305.19 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N-(2-hydroxyethyl)pentanethioamide is sourced from PubChem (CID 6425964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).