N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine

C12H21F6N — CID 103312243

IUPACN-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
SMILESCCNC(CCCC(C)C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6N/c1-4-19-9(7-5-6-8(2)3)10(11(13,14)15)12(16,17)18/h8-10,19H,4-7H2,1-3H3
InChIKeyMTKPOURSCSSJTA-UHFFFAOYSA-N
MW293.30 g/mol
LogP4.53
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine

N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine (PubChem CID 103312243) has the molecular formula C12H21F6N and a molecular weight of 293.30 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
PubChem CID103312243
Molecular FormulaC12H21F6N
Molecular Weight293.30 g/mol
Exact Mass293.16
IUPAC NameN-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
SMILESCCNC(CCCC(C)C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6N/c1-4-19-9(7-5-6-8(2)3)10(11(13,14)15)12(16,17)18/h8-10,19H,4-7H2,1-3H3
InChIKeyMTKPOURSCSSJTA-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
CID 103311641
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103311806
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
CID 103311819
1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-ol
CID 103312619
N-ethyl-7,7,7-trifluoro-2-methylheptan-3-amine
CID 115516397
1,1,1-trifluoro-N,6-dimethylheptan-2-amine
CID 105029014
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
1,1-difluoro-N,6-dimethylheptan-2-amine
CID 103517025
N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
CID 103311673
1,1,1-trifluoro-7-methoxy-N-methyl-2-(trifluoromethyl)heptan-3-amine
CID 112754832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine (CID 103312243) is N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine is CCNC(CCCC(C)C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine?
The InChIKey is MTKPOURSCSSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F6N/c1-4-19-9(7-5-6-8(2)3)10(11(13,14)15)12(16,17)18/h8-10,19H,4-7H2,1-3H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine?
N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine has a molecular weight of 293.30 g/mol, XLogP of 4.53, 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-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine is sourced from PubChem (CID 103312243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).