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

C8H16F3NO — CID 61490622

IUPAC6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCC(N)CCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-7(12)4-3-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyANBGWSMNPNRBCT-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds6

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

6-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 61490622) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID61490622
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCC(N)CCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-7(12)4-3-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyANBGWSMNPNRBCT-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.08
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

6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
7-(2-aminobutoxy)heptan-3-amine
CID 174656192
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
6-(2-methylpropoxy)hexan-3-amine
CID 106454406
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491061
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095198
1-[2-(2,2,2-trifluoroethoxy)ethylsulfinyl]butan-2-amine
CID 81188472

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 61490622) is 6-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)hexan-3-amine is CCC(N)CCCOCC(F)(F)F.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is ANBGWSMNPNRBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-2-7(12)4-3-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 6-(2,2,2-trifluoroethoxy)hexan-3-amine?
6-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 61490622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).