1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid

C13H22F3NO2 — CID 62272875

IUPAC1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22F3NO2/c1-2-8-17(10-13(14,15)16)9-12(11(18)19)6-4-3-5-7-12/h2-10H2,1H3,(H,18,19)
InChIKeyBDASWLMBCMTGFR-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.30
Rot. Bonds6

About 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 62272875) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID62272875
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCN(CC(F)(F)F)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H22F3NO2/c1-2-8-17(10-13(14,15)16)9-12(11(18)19)6-4-3-5-7-12/h2-10H2,1H3,(H,18,19)
InChIKeyBDASWLMBCMTGFR-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 55055408
2-[Methyl(2,2,2-trifluoroethyl)amino]cycloheptane-1-carboxylic acid
CID 55145942
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146720
4-Ethyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146895
2-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 55146901
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270314
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-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 62271969

Frequently Asked Questions

What is the IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 62272875) is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid is CCCN(CC(F)(F)F)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BDASWLMBCMTGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-2-8-17(10-13(14,15)16)9-12(11(18)19)6-4-3-5-7-12/h2-10H2,1H3,(H,18,19).
What are the key properties of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 281.32 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 62272875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).