3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

C9H18F3NO — CID 65019852

IUPAC3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCC(C)(N)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-8(2,13)5-6-14-7-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyPGRAXKXPWOCIKZ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.47
Rot. Bonds6

About 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 65019852) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID65019852
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCC(C)(N)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-3-4-8(2,13)5-6-14-7-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyPGRAXKXPWOCIKZ-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
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

2-Methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62620155
1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62620489
3-Ethyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62620907
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62621094
1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62621224
3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62621834
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62622205
4-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-4-amine
CID 63220228
2-Methyl-4-(trifluoromethyl)oxan-4-amine
CID 64137255
2,2-Dimethyl-4-(trifluoromethyl)oxan-4-amine
CID 64137256
3-Ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 65019805
4-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 65020198

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 65019852) is 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is CCCC(C)(N)CCOCC(F)(F)F.
What is the InChIKey of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is PGRAXKXPWOCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-3-4-8(2,13)5-6-14-7-9(10,11)12/h3-7,13H2,1-2H3.
What are the key properties of 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 65019852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).