ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate

C6H10F3NO2 — CID 60762863

IUPACethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-12-5(11)10(2)4-6(7,8)9/h3-4H2,1-2H3
InChIKeySBWKHHRVJIFRIG-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.64
Rot. Bonds2

About ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate

ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 60762863) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
PubChem CID60762863
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC Nameethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate
SMILESCCOC(=O)N(C)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-3-12-5(11)10(2)4-6(7,8)9/h3-4H2,1-2H3
InChIKeySBWKHHRVJIFRIG-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate (CID 60762863) is ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is CCOC(=O)N(C)CC(F)(F)F.
What is the InChIKey of ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is SBWKHHRVJIFRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-3-12-5(11)10(2)4-6(7,8)9/h3-4H2,1-2H3.
What are the key properties of ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate?
ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 185.14 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 60762863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).