8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine

C12H24F3N — CID 115516392

IUPAC8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)CC(C)C
InChIInChI=1S/C12H24F3N/c1-4-8-16-11(9-10(2)3)6-5-7-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyYLWQFERMIGNVMT-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.13
Rot. Bonds8

About 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine

8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine (PubChem CID 115516392) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
PubChem CID115516392
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)CC(C)C
InChIInChI=1S/C12H24F3N/c1-4-8-16-11(9-10(2)3)6-5-7-12(13,14)15/h10-11,16H,4-9H2,1-3H3
InChIKeyYLWQFERMIGNVMT-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
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

6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
(8,8,8-trifluoro-2-methyloctan-4-yl)hydrazine
CID 105198922
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516904
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
6-ethyl-1,1,1-trifluoro-N-propyldecan-4-amine
CID 79964664
1-butoxy-5-methyl-N-propylhexan-3-amine
CID 115003182
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1,1,1-trifluoro-N-propyloct-6-yn-4-amine
CID 79964063
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
CID 103987551
6,6,6-trifluoro-1-(3-methylphenyl)-N-propylhexan-2-amine
CID 115516541
1-(2,4-difluorophenyl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516838
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine (CID 115516392) is 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine is CCCNC(CCCC(F)(F)F)CC(C)C.
What is the InChIKey of 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
The InChIKey is YLWQFERMIGNVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-4-8-16-11(9-10(2)3)6-5-7-12(13,14)15/h10-11,16H,4-9H2,1-3H3.
What are the key properties of 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine?
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine has a molecular weight of 239.32 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 115516392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).