1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine

C12H24F3N — CID 104992603

IUPAC1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine
SMILESCC(CC(N)CCC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C12H24F3N/c1-9(8-11(2,3)4)7-10(16)5-6-12(13,14)15/h9-10H,5-8,16H2,1-4H3
InChIKeyRNHUXJACXWOFJR-UHFFFAOYSA-N
MW239.32 g/mol
LogP4.12
Rot. Bonds5

About 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine

1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine (PubChem CID 104992603) has the molecular formula C12H24F3N and a molecular weight of 239.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine
PubChem CID104992603
Molecular FormulaC12H24F3N
Molecular Weight239.32 g/mol
Exact Mass239.19
IUPAC Name1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine
SMILESCC(CC(N)CCC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C12H24F3N/c1-9(8-11(2,3)4)7-10(16)5-6-12(13,14)15/h9-10H,5-8,16H2,1-4H3
InChIKeyRNHUXJACXWOFJR-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,4,8,10-pentamethylundecan-6-amine
CID 114201813
3,7,9,9-tetramethyldecan-5-amine
CID 115846063
1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
1-ethylsulfonyl-6,8,8-trimethylnonan-4-amine
CID 115865137
2,2,4-trimethyltridec-12-en-6-amine
CID 107012033
6,8,8-trimethylnon-1-en-4-amine
CID 115813808
1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
1-(2,6-difluorophenyl)-4,6,6-trimethylheptan-2-amine
CID 105055601
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
(1,1,1-trifluoro-6,6-dimethylheptan-4-yl)hydrazine
CID 105220163

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine?
The IUPAC name of 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine (CID 104992603) is 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine is CC(CC(N)CCC(F)(F)F)CC(C)(C)C.
What is the InChIKey of 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine?
The InChIKey is RNHUXJACXWOFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N/c1-9(8-11(2,3)4)7-10(16)5-6-12(13,14)15/h9-10H,5-8,16H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine?
1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine has a molecular weight of 239.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine is sourced from PubChem (CID 104992603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).