ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate

C10H16F3NO2 — CID 59527815

IUPACethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(F)(F)F)CCNCC1
InChIInChI=1S/C10H16F3NO2/c1-2-16-8(15)9(7-10(11,12)13)3-5-14-6-4-9/h14H,2-7H2,1H3
InChIKeyKHOUXIUSLOVXNI-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.87
Rot. Bonds3

About ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate

ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate (PubChem CID 59527815) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
PubChem CID59527815
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CC(F)(F)F)CCNCC1
InChIInChI=1S/C10H16F3NO2/c1-2-16-8(15)9(7-10(11,12)13)3-5-14-6-4-9/h14H,2-7H2,1H3
InChIKeyKHOUXIUSLOVXNI-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-piperidinecarboxylate
CID 70770
Ethyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 19361804
Methyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 56773794
Methyl 4-ethylpiperidine-4-carboxylate hydrochloride
CID 56773797
Ethyl 4-(trifluoromethyl)piperidine-4-carboxylate
CID 66977112
Tert-butyl 4-methylpiperidine-4-carboxylate hydrochloride
CID 122164376
Tert-butyl 3,3-difluoropiperidine-4-carboxylate
CID 122236559
Propan-2-yl piperidine-4-carboxylate
CID 545822
Ethyl 4-(2,2-difluoroethyl)piperidine-4-carboxylate hydrochloride
CID 132362779
Ethyl 4-(prop-2-yn-1-yl)piperidine-4-carboxylate
CID 137699059
Methyl 4-(difluoromethyl)piperidine-4-carboxylate hydrochloride
CID 137934692
Methyl 4-(2-fluoroethyl)piperidine-4-carboxylate hydrochloride
CID 146155852

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate (CID 59527815) is ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate is CCOC(=O)C1(CC(F)(F)F)CCNCC1.
What is the InChIKey of ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
The InChIKey is KHOUXIUSLOVXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-16-8(15)9(7-10(11,12)13)3-5-14-6-4-9/h14H,2-7H2,1H3.
What are the key properties of ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate?
ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2,2-trifluoroethyl)piperidine-4-carboxylate is sourced from PubChem (CID 59527815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).