N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine

C10H20F3NO — CID 79198505

IUPACN-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
SMILESCCNC(CCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C10H20F3NO/c1-5-14-8(9(2,3)15-4)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyMXWUTBXYHQZRRR-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds6

About N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine

N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine (PubChem CID 79198505) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
PubChem CID79198505
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
SMILESCCNC(CCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C10H20F3NO/c1-5-14-8(9(2,3)15-4)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyMXWUTBXYHQZRRR-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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Launch Full Analysis

Related Compounds

N-tert-butyl-2-(4,4-difluoro-5-methylhexoxy)-2-methylpropan-1-amine
CID 88973546
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-2-amine
CID 62110413
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]ethanamine
CID 62111088
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-1-amine
CID 62111089
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
2-methyl-N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111254
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102729
N-(2,2-difluoroethyl)-1-methoxypentan-2-amine
CID 64408843
1-methoxy-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 64409051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
The IUPAC name of N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine (CID 79198505) is N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine.
What is the SMILES notation for N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
The canonical SMILES for N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine is CCNC(CCC(F)(F)F)C(C)(C)OC.
What is the InChIKey of N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
The InChIKey is MXWUTBXYHQZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-5-14-8(9(2,3)15-4)6-7-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-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 N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine is sourced from PubChem (CID 79198505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).