3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid

C11H17F3O3 — CID 103372243

IUPAC3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
SMILESCC1CCC(OCC(C(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3O3/c1-7-2-4-8(5-3-7)17-6-9(10(15)16)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyLENHHAYDHVXSNV-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.84
Rot. Bonds4

About 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid

3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid (PubChem CID 103372243) has the molecular formula C11H17F3O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
PubChem CID103372243
Molecular FormulaC11H17F3O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid
SMILESCC1CCC(OCC(C(=O)O)C(F)(F)F)CC1
InChIInChI=1S/C11H17F3O3/c1-7-2-4-8(5-3-7)17-6-9(10(15)16)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,16)
InChIKeyLENHHAYDHVXSNV-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-[(3-methoxycyclohexyl)oxymethyl]propanoic acid
CID 103372348
3,3,3-trifluoro-2-[[(4-methylcyclohexyl)methylamino]methyl]propanoic acid
CID 103250453
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
1-methyl-4-(2,2,2-trifluoroethoxy)cyclohexane
CID 21137277
3,3,3-trifluoro-2-[[(3-methylcyclopentyl)methylamino]methyl]propanoic acid
CID 107414113
2-(cyclopentyloxymethyl)-3,3,3-trifluoropropanethioamide
CID 103369031
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
2-(trifluoromethyl)pentanoic acid
CID 20539748
2-[[cyclopentyl(2-methylpropyl)amino]methyl]-3,3,3-trifluoropropanoic acid
CID 80997531
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830
1-(4-methylcyclohexyl)oxy-3-(2,2,3,3-tetrafluoropropylamino)propan-2-ol
CID 106291617
2,2-difluoro-3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propan-1-ol
CID 106176234

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid (CID 103372243) is 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid is CC1CCC(OCC(C(=O)O)C(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid?
The InChIKey is LENHHAYDHVXSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O3/c1-7-2-4-8(5-3-7)17-6-9(10(15)16)11(12,13)14/h7-9H,2-6H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid?
3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid has a molecular weight of 254.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(4-methylcyclohexyl)oxymethyl]propanoic acid is sourced from PubChem (CID 103372243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).