methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate

C6H10F3NO3 — CID 115578253

IUPACmethyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
SMILESCOC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-12-5(11)10-2-3-13-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyULJFPMRPVLGAMY-UHFFFAOYSA-N
MW201.14 g/mol
LogP0.92
Rot. Bonds4

About methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate

methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate (PubChem CID 115578253) has the molecular formula C6H10F3NO3 and a molecular weight of 201.14 g/mol. Its IUPAC name is methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
PubChem CID115578253
Molecular FormulaC6H10F3NO3
Molecular Weight201.14 g/mol
Exact Mass201.06
IUPAC Namemethyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
SMILESCOC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO3/c1-12-5(11)10-2-3-13-4-6(7,8)9/h2-4H2,1H3,(H,10,11)
InChIKeyULJFPMRPVLGAMY-UHFFFAOYSA-N
XLogP0.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-{[(2,2,2-trifluoroethoxy)carbonyl]amino}acetate
CID 45791528
2,2,2-trifluoroethyl N-ethylcarbamate
CID 45791478
2,2,2-trifluoroethyl N-(2-methoxyethyl)carbamate
CID 45792048
Methoxyethyl urethane
CID 3281290
2,2,2-trifluoroethyl N-(1-methoxypropan-2-yl)carbamate
CID 50989295
Methyl 2-fluoro-1-methoxyethylcarbamate
CID 14512866
N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 37981198
ethyl N-(2,2,2-trifluoroethyl)carbamate
CID 54306217
fluoromethyl N-(2-methoxyethyl)carbamate
CID 57902245
2-(Fluoromethoxycarbonylamino)ethyl propanoate
CID 57957191
1,1-Dimethylethyl {2-[(2,2,2-trifluoroethyl)oxy]ethyl}carbamate
CID 59410866
ethyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate
CID 60728551

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate (CID 115578253) is methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate is COC(=O)NCCOCC(F)(F)F.
What is the InChIKey of methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
The InChIKey is ULJFPMRPVLGAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3/c1-12-5(11)10-2-3-13-4-6(7,8)9/h2-4H2,1H3,(H,10,11).
What are the key properties of methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate?
methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate has a molecular weight of 201.14 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2,2,2-trifluoroethoxy)ethyl]carbamate is sourced from PubChem (CID 115578253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).