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

C10H16F3NO3 — CID 106499036

IUPAC4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CNCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-14-5-9(17)3-1-7(2-4-9)8(15)16/h7,14,17H,1-6H2,(H,15,16)
InChIKeyOHBXSRVILZXQFH-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.14
Rot. Bonds4

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

4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 106499036) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID106499036
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(O)(CNCC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO3/c11-10(12,13)6-14-5-9(17)3-1-7(2-4-9)8(15)16/h7,14,17H,1-6H2,(H,15,16)
InChIKeyOHBXSRVILZXQFH-UHFFFAOYSA-N
XLogP1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid (CID 106499036) is 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(O)(CNCC(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OHBXSRVILZXQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c11-10(12,13)6-14-5-9(17)3-1-7(2-4-9)8(15)16/h7,14,17H,1-6H2,(H,15,16).
What are the key properties of 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[(2,2,2-trifluoroethylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106499036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).