2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide

C12H16F8N2O2 — CID 3089678

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(C)C
InChIInChI=1S/C12H16F8N2O2/c1-5(2)21-7(23)9(13,14)11(17,18)12(19,20)10(15,16)8(24)22-6(3)4/h5-6H,1-4H3,(H,21,23)(H,22,24)
InChIKeySNJSKRIPMHTUTM-UHFFFAOYSA-N
MW372.26 g/mol
LogP2.58
Rot. Bonds7

About 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide

2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide (PubChem CID 3089678) has the molecular formula C12H16F8N2O2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
PubChem CID3089678
Molecular FormulaC12H16F8N2O2
Molecular Weight372.26 g/mol
Exact Mass372.11
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(C)C
InChIInChI=1S/C12H16F8N2O2/c1-5(2)21-7(23)9(13,14)11(17,18)12(19,20)10(15,16)8(24)22-6(3)4/h5-6H,1-4H3,(H,21,23)(H,22,24)
InChIKeySNJSKRIPMHTUTM-UHFFFAOYSA-N
XLogP2.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[7-(1-carboxyethylamino)-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoyl]amino]propanoic acid
CID 3926618
2,2-difluoro-N-propan-2-ylpropanamide
CID 130495307
2,2-difluoro-3-methyl-N-propan-2-ylbutanamide
CID 170077230
2,2,3,3,4,4,5,5,6,6-decafluoro-N,N'-di(heptan-2-yl)heptanediamide
CID 3633560
2,2-dimethyl-N,N'-di(propan-2-yl)propanediamide
CID 108957169
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propanoate
CID 3676821
2,2,3,3-tetrafluoro-N-[(2S,3S)-3-hydroxybutan-2-yl]-N'-[(2R,3S)-3-hydroxybutan-2-yl]butanediamide
CID 98331890
2,2,3,3,4,4,4-heptafluoro-N-[2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)propyl]butanamide
CID 4147050
2-methylpropyl 2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoylamino)propanoate
CID 91745349
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
CID 4123450
2-methyl-2-(methylamino)-N-propan-2-ylpropanamide
CID 62835801
3,3,3-trifluoro-2-methyl-N-propan-2-ylpropanamide
CID 130717889

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide (CID 3089678) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide is CC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide?
The InChIKey is SNJSKRIPMHTUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F8N2O2/c1-5(2)21-7(23)9(13,14)11(17,18)12(19,20)10(15,16)8(24)22-6(3)4/h5-6H,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide?
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(propan-2-yl)hexanediamide has a molecular weight of 372.26 g/mol, XLogP of 2.58, 7 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,N'-di(propan-2-yl)hexanediamide is sourced from PubChem (CID 3089678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).