ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate

C10H15F3O3 — CID 59327315

IUPACethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O3/c1-2-15-9(14)7-3-5-8(6-4-7)16-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLNHNSNMRTAEGAX-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.64
Rot. Bonds3

About ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate

ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate (PubChem CID 59327315) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate
PubChem CID59327315
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Nameethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O3/c1-2-15-9(14)7-3-5-8(6-4-7)16-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLNHNSNMRTAEGAX-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate (CID 59327315) is ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(OC(F)(F)F)CC1.
What is the InChIKey of ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate?
The InChIKey is LNHNSNMRTAEGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-2-15-9(14)7-3-5-8(6-4-7)16-10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate?
ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate has a molecular weight of 240.22 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(trifluoromethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 59327315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).