5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine

C13H24F5N — CID 23123210

IUPAC5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine
SMILESCCCC(CC)CCC(C)CNC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5N/c1-4-6-11(5-2)8-7-10(3)9-19-13(17,18)12(14,15)16/h10-11,19H,4-9H2,1-3H3
InChIKeyVFLWQGPMAKQLHK-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.97
Rot. Bonds9

About 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine

5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine (PubChem CID 23123210) has the molecular formula C13H24F5N and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine.

Molecular Properties

Compound Name5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine
PubChem CID23123210
Molecular FormulaC13H24F5N
Molecular Weight289.33 g/mol
Exact Mass289.18
IUPAC Name5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine
SMILESCCCC(CC)CCC(C)CNC(F)(F)C(F)(F)F
InChIInChI=1S/C13H24F5N/c1-4-6-11(5-2)8-7-10(3)9-19-13(17,18)12(14,15)16/h10-11,19H,4-9H2,1-3H3
InChIKeyVFLWQGPMAKQLHK-UHFFFAOYSA-N
XLogP4.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-difluorocyclohexyl)-N-methylethan-1-amine
CID 84022133
4-(3,3-Difluorobutyl)piperidine
CID 84656072
N-[(1S)-1-cyclohexylethyl]-2,2,2-trifluoroethanamine
CID 81385216
[(1S)-1-cyclohexylethyl]-(2,2,2-trifluoroethyl)azanium
CID 164667452
2-methyl-N-propyloctan-1-amine
CID 62529682
N-ethyl-6-methyl-6-fluoroheptane amine
CID 9877517
1,1,2,2,3,3-hexafluoro-N-propylnonan-1-amine
CID 17948306
N-(1,1,2,2,3,3-hexafluorononyl)-7-methyldecan-5-amine
CID 17948309
N-butyl-1,1,2,2,3,3-hexafluorononan-1-amine
CID 18388691
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 19761945
1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
CID 19761974
N-(2-cyclohexylethyl)-2,2,2-trifluoroethanamine
CID 20699942

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine?
The IUPAC name of 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine (CID 23123210) is 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine.
What is the SMILES notation for 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine?
The canonical SMILES for 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine is CCCC(CC)CCC(C)CNC(F)(F)C(F)(F)F.
What is the InChIKey of 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine?
The InChIKey is VFLWQGPMAKQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F5N/c1-4-6-11(5-2)8-7-10(3)9-19-13(17,18)12(14,15)16/h10-11,19H,4-9H2,1-3H3.
What are the key properties of 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine?
5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine has a molecular weight of 289.33 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-N-(1,1,2,2,2-pentafluoroethyl)octan-1-amine is sourced from PubChem (CID 23123210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).