2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine

C20H40F4N2 — CID 170692692

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H40F4N2/c1-15(2,3)11-17(7,8)25-13-19(21,22)20(23,24)14-26-18(9,10)12-16(4,5)6/h25-26H,11-14H2,1-10H3
InChIKeyYEVAQWYUQBWNQE-UHFFFAOYSA-N
MW384.55 g/mol
LogP5.87
Rot. Bonds9

About 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine

2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine (PubChem CID 170692692) has the molecular formula C20H40F4N2 and a molecular weight of 384.55 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine
PubChem CID170692692
Molecular FormulaC20H40F4N2
Molecular Weight384.55 g/mol
Exact Mass384.31
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine
SMILESCC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C20H40F4N2/c1-15(2,3)11-17(7,8)25-13-19(21,22)20(23,24)14-26-18(9,10)12-16(4,5)6/h25-26H,11-14H2,1-10H3
InChIKeyYEVAQWYUQBWNQE-UHFFFAOYSA-N
XLogP5.87
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.55
LogP ≤ 55.87
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-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine with MolForge

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Related Compounds

N-tert-butyl-2,2-difluoro-5,5-dimethylhexan-1-amine
CID 89110128
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
2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine
CID 158511997
2,4-dimethyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;3-methyl-N-[(2S)-3-methylbutan-2-yl]butan-1-amine;(2R)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-3-methylbutan-2-yl]pentan-2-amine;(2S)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2R)-4-methyl-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]pentan-2-amine;(2S)-1,1,1-trifluoro-3-methyl-N-(3-methylbutyl)butan-2-amine
CID 162122845
2,2,3,3,4,4-hexafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)pentane-1,5-diamine
CID 170692691
2,2,3,3,4,4,5,5-octafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)hexane-1,6-diamine
CID 170692693
N-tert-butyl-3,3-difluoro-5,5-dimethylhexan-1-amine
CID 176737647
N-tert-butyl-3,3-difluoro-4,4-dimethylpentan-1-amine
CID 176737675
2,4,4-trimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 60976786
N-(2,2-difluoroethyl)-2,4,4-trimethylpentan-2-amine
CID 61666535
N-tert-butyl-N'-ethyl-2-methyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62255862
N-tert-butyl-N',2-dimethyl-2-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62256863

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine (CID 170692692) is 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine is CC(C)(C)CC(C)(C)NCC(F)(F)C(F)(F)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine?
The InChIKey is YEVAQWYUQBWNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40F4N2/c1-15(2,3)11-17(7,8)25-13-19(21,22)20(23,24)14-26-18(9,10)12-16(4,5)6/h25-26H,11-14H2,1-10H3.
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine?
2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine has a molecular weight of 384.55 g/mol, XLogP of 5.87, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis(2,4,4-trimethylpentan-2-yl)butane-1,4-diamine is sourced from PubChem (CID 170692692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).