4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid

C8H11F3O3 — CID 142764538

IUPAC4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCC(O)CC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)7(6(13)14)3-1-5(12)2-4-7/h5,12H,1-4H2,(H,13,14)
InChIKeyKRMYGCUMPHZBIA-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.55
Rot. Bonds1

About 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid

4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 142764538) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID142764538
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCC(O)CC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)7(6(13)14)3-1-5(12)2-4-7/h5,12H,1-4H2,(H,13,14)
InChIKeyKRMYGCUMPHZBIA-UHFFFAOYSA-N
XLogP1.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 142764538) is 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CCC(O)CC1.
What is the InChIKey of 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is KRMYGCUMPHZBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)7(6(13)14)3-1-5(12)2-4-7/h5,12H,1-4H2,(H,13,14).
What are the key properties of 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid?
4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 212.17 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 142764538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).