3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid

C10H18F3NO2 — CID 116536153

IUPAC3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid
SMILESCN(C)C(C)(CCCC(F)(F)F)CC(=O)O
InChIInChI=1S/C10H18F3NO2/c1-9(14(2)3,7-8(15)16)5-4-6-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyNXKFLCKPEFUSGJ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.51
Rot. Bonds6

About 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid

3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid (PubChem CID 116536153) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid.

Molecular Properties

Compound Name3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid
PubChem CID116536153
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid
SMILESCN(C)C(C)(CCCC(F)(F)F)CC(=O)O
InChIInChI=1S/C10H18F3NO2/c1-9(14(2)3,7-8(15)16)5-4-6-10(11,12)13/h4-7H2,1-3H3,(H,15,16)
InChIKeyNXKFLCKPEFUSGJ-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(Dimethylamino)-9,9,9-trifluoro-8-(trifluoromethyl)nonanoic acid
CID 59927994
7-[Bis(trifluoromethyl)amino]-2,2,4,4-tetramethylheptanoic acid
CID 149564658
2-[Methyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 55145942
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146901
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271025
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271588
1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271767
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62272875
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 63066945
2-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067099
2-[Ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067795
2-[Ethyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 63067963

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid?
The IUPAC name of 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid (CID 116536153) is 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid.
What is the SMILES notation for 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid?
The canonical SMILES for 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid is CN(C)C(C)(CCCC(F)(F)F)CC(=O)O.
What is the InChIKey of 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid?
The InChIKey is NXKFLCKPEFUSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-9(14(2)3,7-8(15)16)5-4-6-10(11,12)13/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid?
3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid has a molecular weight of 241.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-7,7,7-trifluoro-3-methylheptanoic acid is sourced from PubChem (CID 116536153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).