N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine

C12H24F3N — CID 79954629

IUPACN-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
SMILESCCNC(CCC(C)(C)C)CCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-5-16-10(6-8-11(2,3)4)7-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyVQORNVPJLPNWTB-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.13
Rot. Bonds6

About N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine

N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine (PubChem CID 79954629) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
PubChem CID79954629
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC NameN-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
SMILESCCNC(CCC(C)(C)C)CCC(F)(F)F
InChIInChI=1S/C12H24F3N/c1-5-16-10(6-8-11(2,3)4)7-9-12(13,14)15/h10,16H,5-9H2,1-4H3
InChIKeyVQORNVPJLPNWTB-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.13
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-trifluorooctan-4-amine
CID 79404596
N-ethyl-2,7,7-trimethyloctan-4-amine
CID 62601319
N-ethyl-6,6-dimethyl-1-propoxyheptan-3-amine
CID 105140017
N-ethyl-2-methoxy-2,7,7-trimethyloctan-4-amine
CID 103025252
N-ethyl-1,1,1-trifluoro-8,8-dimethylnon-6-yn-4-amine
CID 114190311
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
6,6-dimethyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148699
N,3-diethyl-6,6-dimethylheptan-2-amine
CID 61481134
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine (CID 79954629) is N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine is CCNC(CCC(C)(C)C)CCC(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine?
The InChIKey is VQORNVPJLPNWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-5-16-10(6-8-11(2,3)4)7-9-12(13,14)15/h10,16H,5-9H2,1-4H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine?
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine has a molecular weight of 239.32 g/mol, XLogP of 4.13, 6 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-trifluoro-7,7-dimethyloctan-4-amine is sourced from PubChem (CID 79954629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).