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

C8H16F3NO — CID 82711343

IUPACN-(2,2,2-trifluoroethoxy)hexan-1-amine
SMILESCCCCCCNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-4-5-6-12-13-7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyBPGQCCNSTZZIDX-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.65
Rot. Bonds7

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

N-(2,2,2-trifluoroethoxy)hexan-1-amine (PubChem CID 82711343) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethoxy)hexan-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethoxy)hexan-1-amine
PubChem CID82711343
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN-(2,2,2-trifluoroethoxy)hexan-1-amine
SMILESCCCCCCNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-4-5-6-12-13-7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyBPGQCCNSTZZIDX-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoropentoxy)pentan-1-amine
CID 173257850
N-(2,2,2-trifluoroethoxy)heptan-1-amine
CID 82710752
N-(2,2,2-trifluoroethoxy)nonan-2-amine
CID 82710880
N-(2,2,2-trifluoroethoxy)cycloheptanamine
CID 82710886
5-methyl-N-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 82710986
N-(2,2,2-trifluoroethoxy)undecan-6-amine
CID 82711096
N-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 82711124
N-(2,2,2-trifluoroethoxy)octan-1-amine
CID 82711140
N-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 82711323
N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
N-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 82711443
N-(2,2,2-trifluoroethoxy)cyclododecanamine
CID 82711927

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethoxy)hexan-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethoxy)hexan-1-amine (CID 82711343) is N-(2,2,2-trifluoroethoxy)hexan-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethoxy)hexan-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethoxy)hexan-1-amine is CCCCCCNOCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethoxy)hexan-1-amine?
The InChIKey is BPGQCCNSTZZIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-2-3-4-5-6-12-13-7-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of N-(2,2,2-trifluoroethoxy)hexan-1-amine?
N-(2,2,2-trifluoroethoxy)hexan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethoxy)hexan-1-amine is sourced from PubChem (CID 82711343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).