1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid

C14H22F3NO3 — CID 60948682

IUPAC1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H22F3NO3/c1-10(2)18(9-14(15,16)17)11(19)8-13(12(20)21)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyXHMAIKOYRPPYRS-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds5

About 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid

1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid (PubChem CID 60948682) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid
PubChem CID60948682
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCCC1
InChIInChI=1S/C14H22F3NO3/c1-10(2)18(9-14(15,16)17)11(19)8-13(12(20)21)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyXHMAIKOYRPPYRS-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid (CID 60948682) is 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is XHMAIKOYRPPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-10(2)18(9-14(15,16)17)11(19)8-13(12(20)21)6-4-3-5-7-13/h10H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid?
1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60948682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).