ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate

C10H15F3O3 — CID 137347095

IUPACethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C10H15F3O3/c1-2-15-9(14)7-4-3-5-8(6-7)16-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLKFXVDNJNNKIKD-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.64
Rot. Bonds3

About ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate

ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate (PubChem CID 137347095) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate
PubChem CID137347095
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Nameethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C10H15F3O3/c1-2-15-9(14)7-4-3-5-8(6-7)16-10(11,12)13/h7-8H,2-6H2,1H3
InChIKeyLKFXVDNJNNKIKD-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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Related Compounds

1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
1-[3-(trifluoromethoxy)cyclopentyl]ethanone
CID 138517575
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
ethyl 3-nitrocyclohexane-1-carboxylate
CID 121272582
cis-ethyl (1R,3S)-3-aminocyclopentane-1-carboxylate;2,2,2-trifluoroacetic acid
CID 86717536
chloromethyl 3-methoxycyclohexane-1-carboxylate
CID 88996258
3-O-ethyl 1-O-(7-methyloctyl) cyclohexane-1,3-dicarboxylate
CID 91407609
ethyl 3-[tert-butyl(dimethyl)silyl]oxycyclopentane-1-carboxylate
CID 141450623

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate (CID 137347095) is ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(OC(F)(F)F)C1.
What is the InChIKey of ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate?
The InChIKey is LKFXVDNJNNKIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-2-15-9(14)7-4-3-5-8(6-7)16-10(11,12)13/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate?
ethyl 3-(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 3-(trifluoromethoxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 137347095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).