cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid

C8H11F3O2 — CID 25324710

IUPACcis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H11F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)/t5-,6+/m1/s1
InChIKeyRAGWFGSHOZGADV-RITPCOANSA-N
MW196.17 g/mol
LogP2.44
Rot. Bonds1

About cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid

cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 25324710) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID25324710
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Namecis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C8H11F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)/t5-,6+/m1/s1
InChIKeyRAGWFGSHOZGADV-RITPCOANSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 25324710) is cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid is O=C(O)[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is RAGWFGSHOZGADV-RITPCOANSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h5-6H,1-4H2,(H,12,13)/t5-,6+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 196.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 25324710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).