2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

C9H18F3NO — CID 61490659

IUPAC2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCC(C)C(N)CCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)8(13)4-3-5-14-6-9(10,11)12/h7-8H,3-6,13H2,1-2H3
InChIKeyKMZVWRSRHDHRSO-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.33
Rot. Bonds6

About 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 61490659) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID61490659
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCC(C)C(N)CCCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)8(13)4-3-5-14-6-9(10,11)12/h7-8H,3-6,13H2,1-2H3
InChIKeyKMZVWRSRHDHRSO-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-Fluoroethoxy)-3,4-dimethylpentan-2-amine
CID 88916468
Ethane;2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 153576800
1-(Difluoromethoxy)-4,4-difluoro-5-methylhexan-3-amine
CID 170384072
1-(Difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
CID 170585146
(3R)-1-(difluoromethoxy)-5-methylhexan-3-amine
CID 177282038
(3R)-1-(1-fluorocyclopropyl)oxy-5-methylhexan-3-amine
CID 177282055
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
CID 177282058
1-(2,2,2-Trifluoroethoxy)heptan-4-amine
CID 61490620
2,2-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490621
6-(2,2,2-Trifluoroethoxy)hexan-3-amine
CID 61490622
3-Methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490660
N,2,2-trimethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 61490659) is 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is CC(C)C(N)CCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is KMZVWRSRHDHRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2)8(13)4-3-5-14-6-9(10,11)12/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 61490659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).