N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide

C12H8F17NO5 — CID 134694583

IUPACN-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
SMILESO=C(NCC(O)CO)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F17NO5/c13-5(8(17,18)19,4(33)30-1-3(32)2-31)34-12(28,29)7(16,10(23,24)25)35-11(26,27)6(14,15)9(20,21)22/h3,31-32H,1-2H2,(H,30,33)
InChIKeyCBBJPLAYDVRGGS-UHFFFAOYSA-N
MW569.16 g/mol
LogP3.33
Rot. Bonds10

About N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide

N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide (PubChem CID 134694583) has the molecular formula C12H8F17NO5 and a molecular weight of 569.16 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
PubChem CID134694583
Molecular FormulaC12H8F17NO5
Molecular Weight569.16 g/mol
Exact Mass569.01
IUPAC NameN-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
SMILESO=C(NCC(O)CO)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F17NO5/c13-5(8(17,18)19,4(33)30-1-3(32)2-31)34-12(28,29)7(16,10(23,24)25)35-11(26,27)6(14,15)9(20,21)22/h3,31-32H,1-2H2,(H,30,33)
InChIKeyCBBJPLAYDVRGGS-UHFFFAOYSA-N
XLogP3.33
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.16
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide (CID 134694583) is N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide is O=C(NCC(O)CO)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?
The InChIKey is CBBJPLAYDVRGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F17NO5/c13-5(8(17,18)19,4(33)30-1-3(32)2-31)34-12(28,29)7(16,10(23,24)25)35-11(26,27)6(14,15)9(20,21)22/h3,31-32H,1-2H2,(H,30,33).
What are the key properties of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide?
N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide has a molecular weight of 569.16 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide is sourced from PubChem (CID 134694583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).