ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate

C10H16F3NO2 — CID 115280563

IUPACethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)8-5-3-4-6-14(8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyGGFAFQWTYBSAGH-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.97
Rot. Bonds3

About ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate

ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate (PubChem CID 115280563) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
PubChem CID115280563
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Nameethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-2-16-9(15)8-5-3-4-6-14(8)7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyGGFAFQWTYBSAGH-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(bromomethyl)-2-ethylbutyl]piperidine-2-carboxylate
CID 115539021
ethyl 1-(3,3-dimethylbutyl)piperidine-2-carboxylate
CID 78915222
ethyl 1-(2-hydroxypropyl)piperidine-2-carboxylate
CID 115538768
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
ethyl 1-(2-bromoprop-2-enyl)piperidine-2-carboxylate
CID 78968925
ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(3-chloro-2-hydroxypropyl)piperidine-2-carboxylate
CID 112561825
ethyl 1-(3-amino-2-ethoxypropyl)piperidine-2-carboxylate
CID 115538704
ethyl 1-[3-(methylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280651
ethyl 1-[2-(2-hydroxyethoxy)ethyl]piperidine-2-carboxylate
CID 78994229
CID 59417753
CID 59417753

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate (CID 115280563) is ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CC(F)(F)F.
What is the InChIKey of ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate?
The InChIKey is GGFAFQWTYBSAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-2-16-9(15)8-5-3-4-6-14(8)7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate?
ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate has a molecular weight of 239.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2,2-trifluoroethyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).