8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid

C12H19F6NO2 — CID 59927994

IUPAC8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
SMILESCN(C)C(CCCCCCC(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6NO2/c1-19(2)10(11(13,14)15,12(16,17)18)8-6-4-3-5-7-9(20)21/h3-8H2,1-2H3,(H,20,21)
InChIKeyKOZCLUNWYQRYMV-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.84
Rot. Bonds8

About 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid

8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid (PubChem CID 59927994) has the molecular formula C12H19F6NO2 and a molecular weight of 323.28 g/mol. Its IUPAC name is 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid.

Molecular Properties

Compound Name8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
PubChem CID59927994
Molecular FormulaC12H19F6NO2
Molecular Weight323.28 g/mol
Exact Mass323.13
IUPAC Name8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
SMILESCN(C)C(CCCCCCC(=O)O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6NO2/c1-19(2)10(11(13,14)15,12(16,17)18)8-6-4-3-5-7-9(20)21/h3-8H2,1-2H3,(H,20,21)
InChIKeyKOZCLUNWYQRYMV-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

12-[Bis(trifluoromethyl)amino]dodecanoic acid
CID 59366543
6-[Bis(trifluoromethyl)amino]-6-cyclohexylhexanoic acid
CID 59927998
7-(Dimethylamino)-9,9,9-trifluoro-8,8-bis(trifluoromethyl)nonanoic acid
CID 59928030
13-[Bis(trifluoromethyl)amino]tridecanoic acid
CID 87512295
7-[Bis(trifluoromethyl)amino]-2,2,4,4-tetramethylheptanoic acid
CID 149564658
2-[(Dibutylamino)methyl]-5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluorodecanoic acid
CID 20831794
2-[1-(Dimethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758163
2-[1-[2,2-Difluoroethyl(methyl)amino]cyclohexyl]acetic acid
CID 65243002
2-[1-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexyl]acetic acid
CID 65243196
2-[1-[Methyl(3,3,3-trifluoropropyl)amino]cyclohexyl]acetic acid
CID 65243389
2-[1-[Methyl(4,4,4-trifluorobutyl)amino]cyclohexyl]acetic acid
CID 113326579
3-(Dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid
CID 116536153

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid?
The IUPAC name of 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid (CID 59927994) is 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid.
What is the SMILES notation for 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid?
The canonical SMILES for 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid is CN(C)C(CCCCCCC(=O)O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid?
The InChIKey is KOZCLUNWYQRYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO2/c1-19(2)10(11(13,14)15,12(16,17)18)8-6-4-3-5-7-9(20)21/h3-8H2,1-2H3,(H,20,21).
What are the key properties of 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid?
8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid has a molecular weight of 323.28 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid is sourced from PubChem (CID 59927994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).