2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine

C12H24F3NO — CID 116727099

IUPAC2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)(C)OCC
InChIInChI=1S/C12H24F3NO/c1-5-9-16-10(7-8-12(13,14)15)11(3,4)17-6-2/h10,16H,5-9H2,1-4H3
InChIKeyQRCPTHDTUHDLSQ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.51
Rot. Bonds8

About 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine

2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine (PubChem CID 116727099) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine
PubChem CID116727099
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC Name2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)(C)OCC
InChIInChI=1S/C12H24F3NO/c1-5-9-16-10(7-8-12(13,14)15)11(3,4)17-6-2/h10,16H,5-9H2,1-4H3
InChIKeyQRCPTHDTUHDLSQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4,4-difluoro-5-methylhexoxy)-2-methylpropan-1-amine
CID 88973546
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2S)-4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 138741168
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 141688309
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
CID 176724696
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine?
The IUPAC name of 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine (CID 116727099) is 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine?
The canonical SMILES for 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine is CCCNC(CCC(F)(F)F)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine?
The InChIKey is QRCPTHDTUHDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-9-16-10(7-8-12(13,14)15)11(3,4)17-6-2/h10,16H,5-9H2,1-4H3.
What are the key properties of 2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine?
2-ethoxy-6,6,6-trifluoro-2-methyl-N-propylhexan-3-amine has a molecular weight of 255.32 g/mol, XLogP of 3.51, 8 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-2-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 116727099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).