2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid

C13H22F3NO2 — CID 64758164

IUPAC2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO2/c1-3-17(4-2)12(9-11(18)19)7-5-10(6-8-12)13(14,15)16/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyMQXGBOKXWSWBFZ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.29
Rot. Bonds5

About 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid

2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid (PubChem CID 64758164) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
PubChem CID64758164
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid
SMILESCCN(CC)C1(CC(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO2/c1-3-17(4-2)12(9-11(18)19)7-5-10(6-8-12)13(14,15)16/h10H,3-9H2,1-2H3,(H,18,19)
InChIKeyMQXGBOKXWSWBFZ-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid?
The IUPAC name of 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid (CID 64758164) is 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid is CCN(CC)C1(CC(=O)O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid?
The InChIKey is MQXGBOKXWSWBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c1-3-17(4-2)12(9-11(18)19)7-5-10(6-8-12)13(14,15)16/h10H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid?
2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid has a molecular weight of 281.32 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diethylamino)-4-(trifluoromethyl)cyclohexyl]acetic acid is sourced from PubChem (CID 64758164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).