1,1,2,4,4,4-hexafluorobutan-1-amine

C4H5F6N — CID 156717565

IUPAC1,1,2,4,4,4-hexafluorobutan-1-amine
SMILESNC(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C4H5F6N/c5-2(4(9,10)11)1-3(6,7)8/h2H,1,11H2
InChIKeyXAWDJZZNOWPPGK-UHFFFAOYSA-N
MW181.08 g/mol
LogP1.83
Rot. Bonds2

About 1,1,2,4,4,4-hexafluorobutan-1-amine

1,1,2,4,4,4-hexafluorobutan-1-amine (PubChem CID 156717565) has the molecular formula C4H5F6N and a molecular weight of 181.08 g/mol. Its IUPAC name is 1,1,2,4,4,4-hexafluorobutan-1-amine.

Molecular Properties

Compound Name1,1,2,4,4,4-hexafluorobutan-1-amine
PubChem CID156717565
Molecular FormulaC4H5F6N
Molecular Weight181.08 g/mol
Exact Mass181.03
IUPAC Name1,1,2,4,4,4-hexafluorobutan-1-amine
SMILESNC(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C4H5F6N/c5-2(4(9,10)11)1-3(6,7)8/h2H,1,11H2
InChIKeyXAWDJZZNOWPPGK-UHFFFAOYSA-N
XLogP1.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.08
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(3S)-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 97291038
1,1,2-trifluorobutan-1-amine;hydroiodide
CID 138607345
1,1,2-trifluoropentan-1-amine
CID 22597200
1,1,1,2,3,3,4,4,5,7,7,7-dodecafluoroheptane
CID 175358537
1,1,2,2,3,5,5,5-octafluoro-1-methoxypentane
CID 171647533
1,1,1,3-tetrafluoro-3-(1,3,3,3-tetrafluoropropyldisulfanyl)propane
CID 88585021
1,3,3,3-tetrafluoropropan-1-ol;hydrate
CID 153370161
1-(2,2-difluoropropoxy)-1,1,2,4,4,4-hexafluorobutane
CID 89114469
1,1,2,4,4,4-hexafluoro-1-propoxybutane
CID 175770445
1,1,2,2,3,5,5,5-octafluoro-1-[(2-methylpropan-2-yl)oxy]pentane
CID 141085282
(3,3,4,6,6,6-hexafluoro-2-methylhexan-2-yl)phosphonic acid
CID 150136088
2-ethoxy-1,1,1,2,3,5,5,5-octafluoropentane
CID 58114509

Frequently Asked Questions

What is the IUPAC name of 1,1,2,4,4,4-hexafluorobutan-1-amine?
The IUPAC name of 1,1,2,4,4,4-hexafluorobutan-1-amine (CID 156717565) is 1,1,2,4,4,4-hexafluorobutan-1-amine.
What is the SMILES notation for 1,1,2,4,4,4-hexafluorobutan-1-amine?
The canonical SMILES for 1,1,2,4,4,4-hexafluorobutan-1-amine is NC(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 1,1,2,4,4,4-hexafluorobutan-1-amine?
The InChIKey is XAWDJZZNOWPPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6N/c5-2(4(9,10)11)1-3(6,7)8/h2H,1,11H2.
What are the key properties of 1,1,2,4,4,4-hexafluorobutan-1-amine?
1,1,2,4,4,4-hexafluorobutan-1-amine has a molecular weight of 181.08 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,4,4,4-hexafluorobutan-1-amine is sourced from PubChem (CID 156717565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).