2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid

C11H17F3N2O3 — CID 61183620

IUPAC2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
SMILESO=C(NCC(F)(F)F)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)6-15-10(19)16-8(9(17)18)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyFSRQIOAPVLCLMM-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.88
Rot. Bonds4

About 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid

2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid (PubChem CID 61183620) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
PubChem CID61183620
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
SMILESO=C(NCC(F)(F)F)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)6-15-10(19)16-8(9(17)18)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,17,18)(H2,15,16,19)
InChIKeyFSRQIOAPVLCLMM-UHFFFAOYSA-N
XLogP1.88
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid (CID 61183620) is 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid is O=C(NCC(F)(F)F)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
The InChIKey is FSRQIOAPVLCLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)6-15-10(19)16-8(9(17)18)7-4-2-1-3-5-7/h7-8H,1-6H2,(H,17,18)(H2,15,16,19).
What are the key properties of 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid?
2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid is sourced from PubChem (CID 61183620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).