2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid

C10H14F3NO3 — CID 64672154

IUPAC2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(17)14-9(6-7(15)16)4-2-1-3-5-9/h1-6H2,(H,14,17)(H,15,16)
InChIKeyWLBCOWXHVMHJAE-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.84
Rot. Bonds3

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

2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid (PubChem CID 64672154) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
PubChem CID64672154
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)8(17)14-9(6-7(15)16)4-2-1-3-5-9/h1-6H2,(H,14,17)(H,15,16)
InChIKeyWLBCOWXHVMHJAE-UHFFFAOYSA-N
XLogP1.84
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
CID 79846628
N-[1-(3-bromo-2-oxopropyl)cyclohexyl]-2,2,2-trifluoroacetamide
CID 104701432
2-[1-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentyl]acetic acid
CID 103309204
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
CID 64673107
N-(1-ethylcyclobutyl)-2,2,2-trifluoroacetamide
CID 115673150
2-[1-[(2,2-difluoroacetyl)amino]cyclopentyl]acetic acid
CID 103513328
2-[1-(4,4,4-trifluorobutanoylamino)cyclobutyl]acetic acid
CID 79848549
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64700073
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-[[1-(trifluoromethyl)cyclopropyl]carbamoylamino]cyclobutyl]acetic acid
CID 106216540

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid (CID 64672154) is 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid is O=C(O)CC1(NC(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid?
The InChIKey is WLBCOWXHVMHJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)8(17)14-9(6-7(15)16)4-2-1-3-5-9/h1-6H2,(H,14,17)(H,15,16).
What are the key properties of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid?
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid has a molecular weight of 253.22 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64672154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).