2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C8H16F3NO — CID 62505186

IUPAC2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(CN)CCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(5-12)3-2-4-13-6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyRLNIWFBUXHMQFP-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.94
Rot. Bonds6

About 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62505186) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62505186
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(CN)CCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(5-12)3-2-4-13-6-8(9,10)11/h7H,2-6,12H2,1H3
InChIKeyRLNIWFBUXHMQFP-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
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 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62505186) is 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(CN)CCCOCC(F)(F)F.
What is the InChIKey of 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is RLNIWFBUXHMQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(5-12)3-2-4-13-6-8(9,10)11/h7H,2-6,12H2,1H3.
What are the key properties of 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62505186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).