ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate

C17H21F3O3 — CID 122476650

IUPACethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3O3/c1-2-22-16(21)13-5-9-15(10-6-13)23-11-12-3-7-14(8-4-12)17(18,19)20/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3
InChIKeyWINBYCKPENUYHE-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.34
Rot. Bonds5

About ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate

ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate (PubChem CID 122476650) has the molecular formula C17H21F3O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate
PubChem CID122476650
Molecular FormulaC17H21F3O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Nameethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OCc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H21F3O3/c1-2-22-16(21)13-5-9-15(10-6-13)23-11-12-3-7-14(8-4-12)17(18,19)20/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3
InChIKeyWINBYCKPENUYHE-UHFFFAOYSA-N
XLogP4.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[3-[[4-(trifluoromethyl)phenyl]methoxy]pyrrolidin-1-yl]propan-1-one
CID 166100781
ethyl 1-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylate
CID 2838402
ethyl 3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carboxylate
CID 118050829
trans-ethyl (1S,2S)-2-[3-[4-(trifluoromethyl)phenyl]propanoyl]cyclopropane-1-carboxylate
CID 10663053
ethyl 1-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate
CID 102603299
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 87929233
ethyl 1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine-4-carboxylate
CID 167106709
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774
ethyl 4-[3-(trifluoromethyl)phenyl]sulfonylcyclohexane-1-carboxylate
CID 123587350
ethyl 1-[2-[4-(trifluoromethyl)phenoxy]phenyl]piperidine-4-carboxylate
CID 172543076
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate (CID 122476650) is ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(OCc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate?
The InChIKey is WINBYCKPENUYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3O3/c1-2-22-16(21)13-5-9-15(10-6-13)23-11-12-3-7-14(8-4-12)17(18,19)20/h3-4,7-8,13,15H,2,5-6,9-11H2,1H3.
What are the key properties of ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate?
ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate has a molecular weight of 330.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 122476650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).