4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid

C11H18F3NO3 — CID 106498480

IUPAC4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C11H18F3NO3/c1-15(7-11(12,13)14)6-10(18)4-2-8(3-5-10)9(16)17/h8,18H,2-7H2,1H3,(H,16,17)
InChIKeyZKPZKHKFHAUKAQ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.49
Rot. Bonds4

About 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498480) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106498480
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC(F)(F)F)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C11H18F3NO3/c1-15(7-11(12,13)14)6-10(18)4-2-8(3-5-10)9(16)17/h8,18H,2-7H2,1H3,(H,16,17)
InChIKeyZKPZKHKFHAUKAQ-UHFFFAOYSA-N
XLogP1.49
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-4-[(trifluoromethylamino)methyl]cyclohexane-1-carboxylic acid
CID 105502684
4-[[(2,2-Difluoro-3-hydroxypropyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106178227
Ethyl 4-hydroxy-4-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclohexane-1-carboxylate
CID 106294385
Ethyl 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylate
CID 106498479
Ethyl 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498641
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106498646
4-Hydroxy-4-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498647
4-Hydroxy-4-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498648
4-Hydroxy-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498758
Ethyl 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylate
CID 106498759
4-Hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 106498760
4-Hydroxy-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
CID 106498761

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 106498480) is 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid is CN(CC(F)(F)F)CC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZKPZKHKFHAUKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-15(7-11(12,13)14)6-10(18)4-2-8(3-5-10)9(16)17/h8,18H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).