4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C16H19F3N2O4 — CID 122075157

IUPAC4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H19F3N2O4/c17-16(18,19)9-25-13-7-5-12(6-8-13)21-15(24)20-11-3-1-10(2-4-11)14(22)23/h5-8,10-11H,1-4,9H2,(H,22,23)(H2,20,21,24)
InChIKeyRJMZRCIIUKLHLV-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.39
Rot. Bonds5

About 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122075157) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122075157
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC Name4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1ccc(OCC(F)(F)F)cc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H19F3N2O4/c17-16(18,19)9-25-13-7-5-12(6-8-13)21-15(24)20-11-3-1-10(2-4-11)14(22)23/h5-8,10-11H,1-4,9H2,(H,22,23)(H2,20,21,24)
InChIKeyRJMZRCIIUKLHLV-UHFFFAOYSA-N
XLogP3.39
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150
4-[[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075338
1-cyclopropyl-3-(4-ethoxyphenyl)urea
CID 17264486
2-(cyclopropylamino)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 60841072
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293
N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122086156
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229368
4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122075157) is 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1ccc(OCC(F)(F)F)cc1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is RJMZRCIIUKLHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O4/c17-16(18,19)9-25-13-7-5-12(6-8-13)21-15(24)20-11-3-1-10(2-4-11)14(22)23/h5-8,10-11H,1-4,9H2,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 360.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122075157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).