4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid

C12H20F3NO3 — CID 106498760

IUPAC4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CCC(F)(F)F)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C12H20F3NO3/c1-16(7-6-12(13,14)15)8-11(19)4-2-9(3-5-11)10(17)18/h9,19H,2-8H2,1H3,(H,17,18)
InChIKeySRZMICKOEDUICC-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.88
Rot. Bonds5

About 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498760) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106498760
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCN(CCC(F)(F)F)CC1(O)CCC(C(=O)O)CC1
InChIInChI=1S/C12H20F3NO3/c1-16(7-6-12(13,14)15)8-11(19)4-2-9(3-5-11)10(17)18/h9,19H,2-8H2,1H3,(H,17,18)
InChIKeySRZMICKOEDUICC-UHFFFAOYSA-N
XLogP1.88
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 106498760) is 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid is CN(CCC(F)(F)F)CC1(O)CCC(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is SRZMICKOEDUICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-16(7-6-12(13,14)15)8-11(19)4-2-9(3-5-11)10(17)18/h9,19H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).