5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine

C9H18F3NO — CID 82710986

IUPAC5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCC(C)CCC(C)NOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)4-5-8(3)13-14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyAOFQCGPKKDJGMD-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.89
Rot. Bonds6

About 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine

5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 82710986) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID82710986
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCC(C)CCC(C)NOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)4-5-8(3)13-14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyAOFQCGPKKDJGMD-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-(trifluoromethyl)cyclohexan-1-amine
CID 82709358
N-ethoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 82709538
N-(2-methylpropoxy)-4-(trifluoromethyl)cyclohexan-1-amine
CID 82709736
N-(2-methylpropoxy)-3-(trifluoromethyl)cyclohexan-1-amine
CID 82709929
N-ethoxy-4-(trifluoromethyl)cyclohexan-1-amine
CID 82710071
3,3-dimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 82710658
4-methyl-N-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 82710666
N-(2,2,2-trifluoroethoxy)nonan-2-amine
CID 82710880
1-cyclopropyl-N-(2,2,2-trifluoroethoxy)propan-1-amine
CID 82710883
4-methyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82710885
N-(2,2,2-trifluoroethoxy)undecan-6-amine
CID 82711096
3-methyl-N-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 82711115

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 82710986) is 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine is CC(C)CCC(C)NOCC(F)(F)F.
What is the InChIKey of 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is AOFQCGPKKDJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2)4-5-8(3)13-14-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine?
5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 82710986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).