4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C8H17F3N2O — CID 116501816

IUPAC4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCC(C)C(CN)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-6(4-14-2)7(3-12)13-5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3
InChIKeyQSLHQBBLDTVNCT-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.75
Rot. Bonds6

About 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 116501816) has the molecular formula C8H17F3N2O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID116501816
Molecular FormulaC8H17F3N2O
Molecular Weight214.23 g/mol
Exact Mass214.13
IUPAC Name4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCC(C)C(CN)NCC(F)(F)F
InChIInChI=1S/C8H17F3N2O/c1-6(4-14-2)7(3-12)13-5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3
InChIKeyQSLHQBBLDTVNCT-UHFFFAOYSA-N
XLogP0.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65379067
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
2-N-but-3-yn-2-yl-4-methoxy-3-methylbutane-1,2-diamine
CID 114416015
(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 28608773
2-N-ethyl-3-methylpentane-1,2-diamine
CID 62066397
2,4-dimethoxy-3-methylbutan-1-amine
CID 116503390
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
2-N-(2-chlorophenyl)-4-methoxy-3-methylbutane-1,2-diamine
CID 116501809
1,1,1-trifluoro-4-methoxy-3-methylbutan-2-ol
CID 115625020
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
N-tert-butyl-2-fluoro-4-methoxy-3-methylbutan-1-amine
CID 107446634
ethyl 5-methoxy-4-methyl-3-(methylamino)pentanoate
CID 116503368

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 116501816) is 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is COCC(C)C(CN)NCC(F)(F)F.
What is the InChIKey of 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is QSLHQBBLDTVNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O/c1-6(4-14-2)7(3-12)13-5-8(9,10)11/h6-7,13H,3-5,12H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 214.23 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 116501816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).