4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine

C9H18F3NO — CID 130242757

IUPAC4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine
SMILESCOCC(C)N(C)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(7-14-3)13(2)6-4-5-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyLLJWUTKIWKMYBX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds6

About 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine

4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine (PubChem CID 130242757) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine
PubChem CID130242757
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine
SMILESCOCC(C)N(C)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(7-14-3)13(2)6-4-5-9(10,11)12/h8H,4-7H2,1-3H3
InChIKeyLLJWUTKIWKMYBX-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-(1-methoxypropan-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine (CID 130242757) is 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine is COCC(C)N(C)CCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine?
The InChIKey is LLJWUTKIWKMYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(7-14-3)13(2)6-4-5-9(10,11)12/h8H,4-7H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine?
4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 6 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-(1-methoxypropan-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 130242757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).