2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate

C10H16F3NO3 — CID 61355732

IUPAC2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCCN(CC1CCCO1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-14(6-8-4-3-5-16-8)9(15)17-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyMONYBADPZQTRON-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.19
Rot. Bonds4

About 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate

2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate (PubChem CID 61355732) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
PubChem CID61355732
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate
SMILESCCN(CC1CCCO1)C(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-14(6-8-4-3-5-16-8)9(15)17-7-10(11,12)13/h8H,2-7H2,1H3
InChIKeyMONYBADPZQTRON-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate (CID 61355732) is 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate is CCN(CC1CCCO1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
The InChIKey is MONYBADPZQTRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-14(6-8-4-3-5-16-8)9(15)17-7-10(11,12)13/h8H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate has a molecular weight of 255.24 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-ethyl-N-(oxolan-2-ylmethyl)carbamate is sourced from PubChem (CID 61355732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).