4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine

C11H22F3NO — CID 130409561

IUPAC4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine
SMILESCOC[C@H](C)N(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-9(2)15(10(3)8-16-4)7-5-6-11(12,13)14/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyRLAGJQVINAOMNX-JTQLQIEISA-N
MW241.30 g/mol
LogP3.07
Rot. Bonds7

About 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine

4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine (PubChem CID 130409561) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine
PubChem CID130409561
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine
SMILESCOC[C@H](C)N(CCCC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-9(2)15(10(3)8-16-4)7-5-6-11(12,13)14/h9-10H,5-8H2,1-4H3/t10-/m0/s1
InChIKeyRLAGJQVINAOMNX-JTQLQIEISA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine with MolForge

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Related Compounds

Isopropyl-(2-methoxy-ethyl)-propyl-amine
CID 23559583
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
N-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680061
N-ethyl-1,1,1,4,4,4-hexafluoro-N-(2-methoxyethyl)butan-2-amine
CID 57680075
N-[2-(2,2,2-trifluoroethoxy)ethyl]-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680077
N-(2-methoxyethyl)-2-methyl-N-(3,3,3-trifluoropropyl)propan-2-amine
CID 59028617
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
N-[2-(2,2,3,3,3-pentafluoropropoxy)ethyl]-N-pentylpentan-1-amine
CID 59383789
N-ethyl-3,3,3-trifluoro-N-(2-methoxyethyl)propan-1-amine
CID 89317780
N-ethyl-3-fluoro-N-(2-methoxyethyl)propan-1-amine
CID 89317867
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-methylbutan-1-amine
CID 117937197
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 117973097

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine (CID 130409561) is 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine is COC[C@H](C)N(CCCC(F)(F)F)C(C)C.
What is the InChIKey of 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine?
The InChIKey is RLAGJQVINAOMNX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)15(10(3)8-16-4)7-5-6-11(12,13)14/h9-10H,5-8H2,1-4H3/t10-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine?
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 130409561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).