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

C14H8F8N6O2 — CID 3290678

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
SMILESO=C(Nc1ncccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ncccn1
InChIInChI=1S/C14H8F8N6O2/c15-11(16,7(29)27-9-23-3-1-4-24-9)13(19,20)14(21,22)12(17,18)8(30)28-10-25-5-2-6-26-10/h1-6H,(H,23,24,27,29)(H,25,26,28,30)
InChIKeyRGPAHDWEVCYFQS-UHFFFAOYSA-N
MW444.24 g/mol
LogP2.38
Rot. Bonds7

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

2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide (PubChem CID 3290678) has the molecular formula C14H8F8N6O2 and a molecular weight of 444.24 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
PubChem CID3290678
Molecular FormulaC14H8F8N6O2
Molecular Weight444.24 g/mol
Exact Mass444.06
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide
SMILESO=C(Nc1ncccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ncccn1
InChIInChI=1S/C14H8F8N6O2/c15-11(16,7(29)27-9-23-3-1-4-24-9)13(19,20)14(21,22)12(17,18)8(30)28-10-25-5-2-6-26-10/h1-6H,(H,23,24,27,29)(H,25,26,28,30)
InChIKeyRGPAHDWEVCYFQS-UHFFFAOYSA-N
XLogP2.38
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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(pyrimidin-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

carbamic acid;2,2,2-trifluoro-N-pyrimidin-2-ylacetamide
CID 87240308
N-pyrimidin-2-yl-2,2-bis(trifluoromethyl)butanamide
CID 659676
N-pyrimidin-2-ylcarbamoyl fluoride
CID 58939190
3-chloro-2,2-dimethyl-N-pyrimidin-2-ylpropanamide
CID 63679565
(2S)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-pyrimidin-2-ylpropanamide
CID 163171682
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-quinolin-8-yloctanamide
CID 15164362
1-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-3-pyrimidin-2-ylurea
CID 658898
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(1,3-thiazol-2-yl)heptanamide
CID 3799944
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
N,N'-bis(2-chloro-3-pyridinyl)-2,2,3,3-tetrafluorobutanediamide
CID 3523141
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2-fluorophenyl)hexanediamide
CID 4123319

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide (CID 3290678) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide is O=C(Nc1ncccn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ncccn1.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide?
The InChIKey is RGPAHDWEVCYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F8N6O2/c15-11(16,7(29)27-9-23-3-1-4-24-9)13(19,20)14(21,22)12(17,18)8(30)28-10-25-5-2-6-26-10/h1-6H,(H,23,24,27,29)(H,25,26,28,30).
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide?
2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide has a molecular weight of 444.24 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5-octafluoro-N,N'-di(pyrimidin-2-yl)hexanediamide is sourced from PubChem (CID 3290678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).