2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid

C14H24F3NO3 — CID 65242704

IUPAC2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid
SMILESCN(CCCOCC(F)(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H24F3NO3/c1-18(8-5-9-21-11-14(15,16)17)13(10-12(19)20)6-3-2-4-7-13/h2-11H2,1H3,(H,19,20)
InChIKeyDAHNAILSMKEVEN-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.06
Rot. Bonds8

About 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid

2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid (PubChem CID 65242704) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid
PubChem CID65242704
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC Name2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid
SMILESCN(CCCOCC(F)(F)F)C1(CC(=O)O)CCCCC1
InChIInChI=1S/C14H24F3NO3/c1-18(8-5-9-21-11-14(15,16)17)13(10-12(19)20)6-3-2-4-7-13/h2-11H2,1H3,(H,19,20)
InChIKeyDAHNAILSMKEVEN-UHFFFAOYSA-N
XLogP3.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.06
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-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid (CID 65242704) is 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid is CN(CCCOCC(F)(F)F)C1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid?
The InChIKey is DAHNAILSMKEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-18(8-5-9-21-11-14(15,16)17)13(10-12(19)20)6-3-2-4-7-13/h2-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid?
2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid has a molecular weight of 311.34 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[methyl-[3-(2,2,2-trifluoroethoxy)propyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 65242704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).