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

C8H11F3O3 — CID 64756952

IUPAC1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)5-1-3-7(14,4-2-5)6(12)13/h5,14H,1-4H2,(H,12,13)
InChIKeyADXZMNUYOZBCHQ-UHFFFAOYSA-N
MW212.17 g/mol
LogP1.55
Rot. Bonds1

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

1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 64756952) has the molecular formula C8H11F3O3 and a molecular weight of 212.17 g/mol. Its IUPAC name is 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID64756952
Molecular FormulaC8H11F3O3
Molecular Weight212.17 g/mol
Exact Mass212.07
IUPAC Name1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H11F3O3/c9-8(10,11)5-1-3-7(14,4-2-5)6(12)13/h5,14H,1-4H2,(H,12,13)
InChIKeyADXZMNUYOZBCHQ-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 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 64756952) is 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is O=C(O)C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is ADXZMNUYOZBCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O3/c9-8(10,11)5-1-3-7(14,4-2-5)6(12)13/h5,14H,1-4H2,(H,12,13).
What are the key properties of 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-hydroxy-4-(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 1-hydroxy-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64756952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).