1,1,2-trifluoroethyl N-ethylcarbamate

C5H8F3NO2 — CID 173025473

IUPAC1,1,2-trifluoroethyl N-ethylcarbamate
SMILESCCNC(=O)OC(F)(F)CF
InChIInChI=1S/C5H8F3NO2/c1-2-9-4(10)11-5(7,8)3-6/h2-3H2,1H3,(H,9,10)
InChIKeyKHZBCJOMEHBNHE-UHFFFAOYSA-N
MW171.12 g/mol
LogP1.29
Rot. Bonds3

About 1,1,2-trifluoroethyl N-ethylcarbamate

1,1,2-trifluoroethyl N-ethylcarbamate (PubChem CID 173025473) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is 1,1,2-trifluoroethyl N-ethylcarbamate.

Molecular Properties

Compound Name1,1,2-trifluoroethyl N-ethylcarbamate
PubChem CID173025473
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC Name1,1,2-trifluoroethyl N-ethylcarbamate
SMILESCCNC(=O)OC(F)(F)CF
InChIInChI=1S/C5H8F3NO2/c1-2-9-4(10)11-5(7,8)3-6/h2-3H2,1H3,(H,9,10)
InChIKeyKHZBCJOMEHBNHE-UHFFFAOYSA-N
XLogP1.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
azane;ethyl N-ethylcarbamate
CID 88547448
1,1,2-trifluoroethyl (E)-2-methylbut-2-enoate
CID 169449580
2-aminoethyl N-ethylcarbamate;2,2,2-trifluoroacetic acid
CID 146459167
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
N-ethyl-2,2,2-trifluoroacetamide
CID 581108
but-1-ene;tert-butyl N-ethylcarbamate;but-1-yne
CID 142863442
ethylcarbamoyl 2-chloroacetate
CID 91082001
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
tert-butyl N-[2-[[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126589495
tert-butyl N-[(2S)-2-hydroxybutyl]carbamate
CID 58718643
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoroethyl N-ethylcarbamate?
The IUPAC name of 1,1,2-trifluoroethyl N-ethylcarbamate (CID 173025473) is 1,1,2-trifluoroethyl N-ethylcarbamate.
What is the SMILES notation for 1,1,2-trifluoroethyl N-ethylcarbamate?
The canonical SMILES for 1,1,2-trifluoroethyl N-ethylcarbamate is CCNC(=O)OC(F)(F)CF.
What is the InChIKey of 1,1,2-trifluoroethyl N-ethylcarbamate?
The InChIKey is KHZBCJOMEHBNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c1-2-9-4(10)11-5(7,8)3-6/h2-3H2,1H3,(H,9,10).
What are the key properties of 1,1,2-trifluoroethyl N-ethylcarbamate?
1,1,2-trifluoroethyl N-ethylcarbamate has a molecular weight of 171.12 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoroethyl N-ethylcarbamate is sourced from PubChem (CID 173025473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).