2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate

C10H16F3NO3 — CID 114106922

IUPAC2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
SMILESCCC1OCCC1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-8-7(3-4-16-8)5-14-9(15)17-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyNGAYSSKPKHZUFN-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.09
Rot. Bonds4

About 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate

2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate (PubChem CID 114106922) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
PubChem CID114106922
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate
SMILESCCC1OCCC1CNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-2-8-7(3-4-16-8)5-14-9(15)17-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyNGAYSSKPKHZUFN-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-ethyl-N-[(2-ethyloxolan-3-yl)methyl]butanamide
CID 114105712
2,2,2-trifluoroethyl N-(2-bicyclo[2.2.1]heptanylmethyl)carbamate
CID 62734672
2,2,2-trifluoroethyl N-(2-methyloxan-4-yl)carbamate
CID 103887484
N-(cyclopropylmethyl)-2-[(2-ethyloxolan-3-yl)methylamino]acetamide
CID 114105561
N-[(2-ethyloxolan-3-yl)methyl]-2-piperazin-1-ylacetamide
CID 114105696
N-[[(2R,3R)-2-ethyloxolan-3-yl]methyl]benzamide
CID 134565640
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333
2,2,2-trifluoroethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65173907
methyl 2-acetamido-3-[(2-ethyloxolan-3-yl)methylamino]propanoate
CID 114106525
N-[(2-ethyloxolan-3-yl)methyl]-4-methylpiperidine-2-carboxamide
CID 114105746
2,2,2-trifluoroethyl N-cyclobutylcarbamate
CID 63716209
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate (CID 114106922) is 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate is CCC1OCCC1CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate?
The InChIKey is NGAYSSKPKHZUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-2-8-7(3-4-16-8)5-14-9(15)17-6-10(11,12)13/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate?
2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate has a molecular weight of 255.24 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[(2-ethyloxolan-3-yl)methyl]carbamate is sourced from PubChem (CID 114106922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).