2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid

C11H16F3NO4 — CID 64673107

IUPAC2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)OCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-9(18)15-10(6-8(16)17)4-2-1-3-5-10/h1-7H2,(H,15,18)(H,16,17)
InChIKeyGQYSCPMAOLRMMF-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.45
Rot. Bonds4

About 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid

2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid (PubChem CID 64673107) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
PubChem CID64673107
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)OCC(F)(F)F)CCCCC1
InChIInChI=1S/C11H16F3NO4/c12-11(13,14)7-19-9(18)15-10(6-8(16)17)4-2-1-3-5-10/h1-7H2,(H,15,18)(H,16,17)
InChIKeyGQYSCPMAOLRMMF-UHFFFAOYSA-N
XLogP2.45
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
CID 64672154
2-[1-(ethoxycarbonylamino)cyclobutyl]acetic acid
CID 79845201
2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
CID 79846628
2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid
CID 103309204
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
4-(2,2,2-trifluoroethoxycarbonylamino)oxane-4-carboxylic acid
CID 115291874
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclopentyl]acetic acid
CID 64702299

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid (CID 64673107) is 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)OCC(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid?
The InChIKey is GQYSCPMAOLRMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c12-11(13,14)7-19-9(18)15-10(6-8(16)17)4-2-1-3-5-10/h1-7H2,(H,15,18)(H,16,17).
What are the key properties of 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid?
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid has a molecular weight of 283.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid is sourced from PubChem (CID 64673107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).