2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate

C7H12F3NO3 — CID 102701054

IUPAC2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
SMILESCOC(C)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(13-2)3-11-6(12)14-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyBLKDMBWFYYKWSL-UHFFFAOYSA-N
MW215.17 g/mol
LogP1.31
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate

2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate (PubChem CID 102701054) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
PubChem CID102701054
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
SMILESCOC(C)CNC(=O)OCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-5(13-2)3-11-6(12)14-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyBLKDMBWFYYKWSL-UHFFFAOYSA-N
XLogP1.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
CID 65168600
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
methyl 3-methyl-2-(2,2,2-trifluoroethoxycarbonylamino)butanoate
CID 65168435
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
N-(2-methoxypropyl)acetamide
CID 90876780
2,2-dimethyl-3-(2,2,2-trifluoroethoxycarbonylamino)propanoic acid
CID 115427379
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
methyl N-(2-carbamoyloxypropyl)carbamate
CID 140629803
2-(2-methoxypropylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 102698001

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate (CID 102701054) is 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate is COC(C)CNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate?
The InChIKey is BLKDMBWFYYKWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-5(13-2)3-11-6(12)14-4-7(8,9)10/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate?
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate has a molecular weight of 215.17 g/mol, XLogP of 1.31, 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-methoxypropyl)carbamate is sourced from PubChem (CID 102701054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).