2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid

C14H23F2NO4 — CID 103206066

IUPAC2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid
SMILESCN(C(=O)CCOCC(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23F2NO4/c1-17(12(18)5-8-21-10-11(15)16)14(9-13(19)20)6-3-2-4-7-14/h11H,2-10H2,1H3,(H,19,20)
InChIKeySTCGEYJBKYFMOL-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.29
Rot. Bonds8

About 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid

2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid (PubChem CID 103206066) has the molecular formula C14H23F2NO4 and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid
PubChem CID103206066
Molecular FormulaC14H23F2NO4
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid
SMILESCN(C(=O)CCOCC(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H23F2NO4/c1-17(12(18)5-8-21-10-11(15)16)14(9-13(19)20)6-3-2-4-7-14/h11H,2-10H2,1H3,(H,19,20)
InChIKeySTCGEYJBKYFMOL-UHFFFAOYSA-N
XLogP2.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid (CID 103206066) is 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid is CN(C(=O)CCOCC(F)F)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid?
The InChIKey is STCGEYJBKYFMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO4/c1-17(12(18)5-8-21-10-11(15)16)14(9-13(19)20)6-3-2-4-7-14/h11H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid?
2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid has a molecular weight of 307.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2,2-difluoroethoxy)propanoyl-methylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 103206066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).