2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid

C11H17F3O2 — CID 84736757

IUPAC2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3O2/c1-10(2,9(15)16)7-3-5-8(6-4-7)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyBEKYBGOWRWCQET-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.47
Rot. Bonds2

About 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid

2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid (PubChem CID 84736757) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
PubChem CID84736757
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid
SMILESCC(C)(C(=O)O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H17F3O2/c1-10(2,9(15)16)7-3-5-8(6-4-7)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyBEKYBGOWRWCQET-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-ethylcyclohexyl)-2-methylpropanoic acid
CID 79425343
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
2-(3,3-difluorocyclobutyl)-2-methylpropanoic acid
CID 118062279
2-(3-fluorocyclohexyl)-2-methylpropanoic acid
CID 84732891
2-aminoacetic acid;1-methyl-4-(trifluoromethyl)cyclohexane
CID 164530893
2,2-dimethyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanoic acid;hydrochloride
CID 146019187
2-cyclopropyl-4,4,4-trifluoro-2-methylbutanoic acid
CID 83154949
2-methyl-2-pyrrolidin-3-ylpropanoic acid
CID 82652022
[4-(trifluoromethyl)cyclohexyl] 2-chloro-2-methylpropanoate
CID 164738026
1,4-dimethylcyclohexane;1-methyl-4-(trifluoromethyl)cyclohexane
CID 90867997
4-(trifluoromethyl)cyclohexan-1-ol
CID 129011106
2-[carboxymethyl-[4-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065934

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid (CID 84736757) is 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid is CC(C)(C(=O)O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid?
The InChIKey is BEKYBGOWRWCQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-10(2,9(15)16)7-3-5-8(6-4-7)11(12,13)14/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid?
2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid has a molecular weight of 238.25 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(trifluoromethyl)cyclohexyl]propanoic acid is sourced from PubChem (CID 84736757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).