N-ethyl-1,1,1-trifluorooctan-4-amine

C10H20F3N — CID 79404596

IUPACN-ethyl-1,1,1-trifluorooctan-4-amine
SMILESCCCCC(CCC(F)(F)F)NCC
InChIInChI=1S/C10H20F3N/c1-3-5-6-9(14-4-2)7-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyLHEIUDGZEYEDPK-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.50
Rot. Bonds7

About N-ethyl-1,1,1-trifluorooctan-4-amine

N-ethyl-1,1,1-trifluorooctan-4-amine (PubChem CID 79404596) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluorooctan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluorooctan-4-amine
PubChem CID79404596
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC NameN-ethyl-1,1,1-trifluorooctan-4-amine
SMILESCCCCC(CCC(F)(F)F)NCC
InChIInChI=1S/C10H20F3N/c1-3-5-6-9(14-4-2)7-8-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyLHEIUDGZEYEDPK-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1,1,1-trifluoroheptan-4-amine
CID 64567008
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
N-ethyldecan-5-amine
CID 79405026
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148516
N-ethyltetradecan-7-amine
CID 87847195
N-ethylhexadecan-4-amine
CID 63413885
2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61352156
N-ethyl-8,8,8-trifluoro-1-phenyloctan-4-amine
CID 105174493
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluorooctan-4-amine?
The IUPAC name of N-ethyl-1,1,1-trifluorooctan-4-amine (CID 79404596) is N-ethyl-1,1,1-trifluorooctan-4-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluorooctan-4-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluorooctan-4-amine is CCCCC(CCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1,1,1-trifluorooctan-4-amine?
The InChIKey is LHEIUDGZEYEDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-3-5-6-9(14-4-2)7-8-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluorooctan-4-amine?
N-ethyl-1,1,1-trifluorooctan-4-amine has a molecular weight of 211.27 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluorooctan-4-amine is sourced from PubChem (CID 79404596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).