2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine

C10H20F3NO — CID 116726522

IUPAC2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine
SMILESCCOC(C)(C)C(CCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-5-15-9(2,3)8(14-4)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeySXKFKUHKCLJXCX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

About 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine

2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine (PubChem CID 116726522) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine
PubChem CID116726522
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine
SMILESCCOC(C)(C)C(CCC(F)(F)F)NC
InChIInChI=1S/C10H20F3NO/c1-5-15-9(2,3)8(14-4)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeySXKFKUHKCLJXCX-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311
(2-ethoxy-2-methyldodecan-3-yl)hydrazine
CID 105274061
6,6,6-trifluoro-N-methylhexan-3-amine
CID 64566390
3-ethoxy-3-ethyl-N-methylheptan-4-amine
CID 116759889
2-ethoxy-2-methyl-N-propylpentan-3-amine
CID 116727014
3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
CID 115517197
(2-ethoxy-6-ethylsulfonyl-2-methylhexan-3-yl)hydrazine
CID 105273996
2-methoxy-N,2-dimethyloctan-3-amine
CID 79198599
3-ethoxy-3-ethyl-N,8-dimethylnonan-4-amine
CID 116760023
1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine
CID 64567643
3-ethoxy-1-(5-ethyl-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 116726555
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethoxy-N,3-dimethylbutan-2-amine
CID 116726484

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine?
The IUPAC name of 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine (CID 116726522) is 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine?
The canonical SMILES for 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine is CCOC(C)(C)C(CCC(F)(F)F)NC.
What is the InChIKey of 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine?
The InChIKey is SXKFKUHKCLJXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-15-9(2,3)8(14-4)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine?
2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine is sourced from PubChem (CID 116726522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).