2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine

C22H40F8N2 — CID 170692693

IUPAC2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C22H40F8N2/c1-15(2,3)11-17(7,8)31-13-19(23,24)21(27,28)22(29,30)20(25,26)14-32-18(9,10)12-16(4,5)6/h31-32H,11-14H2,1-10H3
InChIKeyOMLDUACKWYVHSW-UHFFFAOYSA-N
MW484.56 g/mol
LogP7.14
Rot. Bonds11

About 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine

2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine (PubChem CID 170692693) has the molecular formula C22H40F8N2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine
PubChem CID170692693
Molecular FormulaC22H40F8N2
Molecular Weight484.56 g/mol
Exact Mass484.31
IUPAC Name2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C22H40F8N2/c1-15(2,3)11-17(7,8)31-13-19(23,24)21(27,28)22(29,30)20(25,26)14-32-18(9,10)12-16(4,5)6/h31-32H,11-14H2,1-10H3
InChIKeyOMLDUACKWYVHSW-UHFFFAOYSA-N
XLogP7.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 57.14
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'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-7,7-difluoro-2,2,8-trimethylnonan-1-amine
CID 88973658
N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine
CID 88975392
N-tert-butyl-2,2-difluoro-5,5-dimethylhexan-1-amine
CID 89110128
N-tert-butyl-2-fluoro-5,5-dimethylhexan-1-amine
CID 107446549
5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexan-1-amine
CID 117944153
2,2-dimethyl-N-(1,1,1-trifluoropropan-2-yl)hexan-1-amine
CID 122599078
2,2-dimethyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 122599122
2,2-dimethyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 122599130
2,5,5-trimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]hexan-2-amine
CID 153298701
2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine
CID 155067708
2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine
CID 155067709
2-(aminomethyl)-N'-[2-(aminomethyl)-2-[2-[[2-(aminomethyl)-2-(trifluoromethyl)pentyl]amino]ethyl]-4,4,4-trifluorobutyl]-2-(3,3,3-trifluoropropyl)butane-1,4-diamine
CID 156355931

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine?
The IUPAC name of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine (CID 170692693) is 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine.
What is the SMILES notation for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine?
The canonical SMILES for 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine is CC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine?
The InChIKey is OMLDUACKWYVHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40F8N2/c1-15(2,3)11-17(7,8)31-13-19(23,24)21(27,28)22(29,30)20(25,26)14-32-18(9,10)12-16(4,5)6/h31-32H,11-14H2,1-10H3.
What are the key properties of 2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine?
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine has a molecular weight of 484.56 g/mol, XLogP of 7.14, 11 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'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 170692693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).