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

C8H16F3NO — CID 62601642

IUPAC1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyPNZGROAALOYEJQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds6

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

1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 62601642) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID62601642
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCCC(N)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyPNZGROAALOYEJQ-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 62601642) is 1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hexan-3-amine is CCCC(N)CCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is PNZGROAALOYEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hexan-3-amine?
1-(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 1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 62601642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).