propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate

C13H16F3NO2 — CID 140972623

IUPACpropan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCCN(C(=O)OC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-4-17(12(18)19-9(2)3)11-7-5-6-10(8-11)13(14,15)16/h5-9H,4H2,1-3H3
InChIKeyZTGKKFQFISJRFI-UHFFFAOYSA-N
MW275.27 g/mol
LogP4.08
Rot. Bonds3

About propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate

propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate (PubChem CID 140972623) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
PubChem CID140972623
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Namepropan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
SMILESCCN(C(=O)OC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO2/c1-4-17(12(18)19-9(2)3)11-7-5-6-10(8-11)13(14,15)16/h5-9H,4H2,1-3H3
InChIKeyZTGKKFQFISJRFI-UHFFFAOYSA-N
XLogP4.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

propan-2-yl N-(chloromethyl)-N-[3-(trifluoromethyl)phenyl]carbamate
CID 23465054
ethyl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 66804011
propan-2-yl N-ethyl-N-(3-hydroxyphenyl)carbamate
CID 107734181
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]propanoic acid
CID 100520412
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
ethyl N-carbamoyl-N-[3-(trifluoromethyl)phenyl]carbamate
CID 3054397
2-[N-[(2-methylpropan-2-yl)oxycarbonyl]-3-(trifluoromethyl)anilino]acetic acid
CID 69067890
propan-2-yl N-ethyl-N-pyridin-4-ylcarbamate
CID 106934812
(2S)-2-[N-ethyl-3-(trifluoromethyl)anilino]butanoic acid
CID 100520434
2-[N-ethyl-3-(trifluoromethyl)anilino]-N-methylacetamide
CID 167921207
2-[N-propyl-3-(trifluoromethyl)anilino]propanoic acid
CID 133150394
[N-(dimethylcarbamoyl)-3-(trifluoromethyl)anilino]methyl acetate
CID 21499904

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The IUPAC name of propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate (CID 140972623) is propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate.
What is the SMILES notation for propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The canonical SMILES for propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate is CCN(C(=O)OC(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
The InChIKey is ZTGKKFQFISJRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-4-17(12(18)19-9(2)3)11-7-5-6-10(8-11)13(14,15)16/h5-9H,4H2,1-3H3.
What are the key properties of propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate?
propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate has a molecular weight of 275.27 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-ethyl-N-[3-(trifluoromethyl)phenyl]carbamate is sourced from PubChem (CID 140972623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).