1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid

C9H14F3NO3 — CID 59562786

IUPAC1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-6-1-3-8(13,4-2-6)7(14)15/h6H,1-5,13H2,(H,14,15)
InChIKeyRDVPSKCYYKEYFU-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.29
Rot. Bonds3

About 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid

1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid (PubChem CID 59562786) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid
PubChem CID59562786
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(OCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-16-6-1-3-8(13,4-2-6)7(14)15/h6H,1-5,13H2,(H,14,15)
InChIKeyRDVPSKCYYKEYFU-UHFFFAOYSA-N
XLogP1.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-4-(2,2,2-trifluoroethoxy)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

1-Amino-4-hydroxycyclohexanecarboxylic acid
CID 9942217
Methyl 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 59562773
1-Amino-4-methoxy-4-(trifluoromethyl)cyclohexanecarboxylic acid
CID 90413729
Ethyl 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylate
CID 141311511
[4-(2,2-Difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium
CID 156890048
Methyl 1-amino-4-(2,2-difluoroethoxy)cyclohexane-1-carboxylate
CID 156890049
1-Amino-4-(2,2-difluoroethoxy)cyclohexane-1-carboxylic acid
CID 156890051
1-Amino-4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 54594718
Tert-butyl 1-amino-4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 121604895
Methyl 1-amino-4-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 121604896
Methyl 1-amino-4-(trifluoromethoxy)cyclohexanecarboxylate
CID 137347048
1-Amino-4-(trifluoromethoxy)cyclohexane-1-carboxylic acid
CID 137347072

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid (CID 59562786) is 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid is NC1(C(=O)O)CCC(OCC(F)(F)F)CC1.
What is the InChIKey of 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is RDVPSKCYYKEYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-16-6-1-3-8(13,4-2-6)7(14)15/h6H,1-5,13H2,(H,14,15).
What are the key properties of 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid?
1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 241.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 59562786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).