1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C11H17F3N2O3 — CID 113309770

IUPAC1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-16-9(19)15-6-10(8(17)18)4-2-1-3-5-10/h1-7H2,(H,17,18)(H2,15,16,19)
InChIKeyBVPBXFVHODYQGN-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.88
Rot. Bonds4

About 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 113309770) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID113309770
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-16-9(19)15-6-10(8(17)18)4-2-1-3-5-10/h1-7H2,(H,17,18)(H2,15,16,19)
InChIKeyBVPBXFVHODYQGN-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

Analyze 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-[(methylcarbamoylamino)methyl]decanoic acid
CID 23326911
8-[(4,4-Dimethylcyclohexyl)carbamoylamino]-2-fluorooctanoic acid
CID 44131757
1-[(Hydrazinecarbonylamino)methyl]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68891632
2-[1-[(2,2,2-Trifluoroethylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 61659928
2-[1-[[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexyl]acetic acid
CID 61660070
2-[1-[(3,3,3-Trifluoropropylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 63227864
4-[2-(2,2,2-Trifluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 64345950
4-[2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethyl]heptanoic acid
CID 64346541
4-[2-(3,3,3-Trifluoropropylcarbamoylamino)ethyl]heptanoic acid
CID 64347725
2-[1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64699881
2-[1-(2,2,2-Trifluoroethylcarbamoylamino)cyclohexyl]acetic acid
CID 64701219
2-[1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701412

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 113309770) is 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCC(F)(F)F)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is BVPBXFVHODYQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-16-9(19)15-6-10(8(17)18)4-2-1-3-5-10/h1-7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic 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 1-[(2,2,2-trifluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113309770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).