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

C10H15F3O4 — CID 162567158

IUPAC4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3O4/c1-17-6-8(7(14)15)2-4-9(16,5-3-8)10(11,12)13/h16H,2-6H2,1H3,(H,14,15)
InChIKeyUMISLNHUTWURNR-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.57
Rot. Bonds3

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

4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 162567158) has the molecular formula C10H15F3O4 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID162567158
Molecular FormulaC10H15F3O4
Molecular Weight256.22 g/mol
Exact Mass256.09
IUPAC Name4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESCOCC1(C(=O)O)CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H15F3O4/c1-17-6-8(7(14)15)2-4-9(16,5-3-8)10(11,12)13/h16H,2-6H2,1H3,(H,14,15)
InChIKeyUMISLNHUTWURNR-UHFFFAOYSA-N
XLogP1.57
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-1-(methoxymethyl)cyclohexane-1-carboxylic acid
CID 103975916
3,3-difluoro-1-(methoxymethyl)cyclobutane-1-carboxylic acid
CID 155943483
(3R)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 124593028
1-(2-methoxyethyl)cyclopropane-1-carboxylic acid
CID 66023970
3-(methoxymethyl)piperidine-3-carboxylic acid;hydrochloride
CID 122163546
1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid
CID 147822752
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
1-ethylsulfonyl-3-(methoxymethyl)pyrrolidine-3-carboxylic acid
CID 136548750
5-(methoxymethyl)bicyclo[3.1.0]hexane-1-carboxylic acid
CID 14044606
3-(methoxymethyl)-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 172548571
1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 118219117
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 162567158) is 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is COCC1(C(=O)O)CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is UMISLNHUTWURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O4/c1-17-6-8(7(14)15)2-4-9(16,5-3-8)10(11,12)13/h16H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 256.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162567158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).