2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine

C8H13F6N — CID 142573790

IUPAC2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H13F6N/c1-5(2)15(3)4-7(11,12)8(13,14)6(9)10/h5-6H,4H2,1-3H3
InChIKeyNJAMVVJIUQAFRX-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.86
Rot. Bonds5

About 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine

2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 142573790) has the molecular formula C8H13F6N and a molecular weight of 237.19 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID142573790
Molecular FormulaC8H13F6N
Molecular Weight237.19 g/mol
Exact Mass237.10
IUPAC Name2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H13F6N/c1-5(2)15(3)4-7(11,12)8(13,14)6(9)10/h5-6H,4H2,1-3H3
InChIKeyNJAMVVJIUQAFRX-UHFFFAOYSA-N
XLogP2.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S)-2,2-difluoro-N,3,4-trimethyl-N-propan-2-ylpentan-1-amine
CID 176932878
N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 165464054
nickel;4,4,4-trifluoro-2-methyl-1-[methyl(propan-2-yl)amino]butan-2-ol
CID 169073997
1,1,2,2,3,3,5,5,6,6-decafluorooctane
CID 59211715
3-bromo-N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 65000340
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972
2-(2,2,3,3,4,4-hexafluorobutylsulfonyloxy)ethyl 2,2,3,3,4,4-hexafluorobutane-1-sulfonate
CID 157070240
4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
3,3-difluoro-N,N-dimethylbutan-1-amine;ethane;N,N,N'-trimethyl-N'-propan-2-ylethane-1,2-diamine
CID 172563999
2,2,3,3,3-pentafluoro-N,N-di(propan-2-yl)propan-1-amine
CID 11806562
1-N,3-N,2,2-tetramethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 66455555

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine (CID 142573790) is 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine is CC(C)N(C)CC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is NJAMVVJIUQAFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N/c1-5(2)15(3)4-7(11,12)8(13,14)6(9)10/h5-6H,4H2,1-3H3.
What are the key properties of 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine?
2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 237.19 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 142573790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).