tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate

C16H22F3NO2 — CID 102141080

IUPACtert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCCN(CCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-5-20(14(21)22-15(2,3)4)11-10-12-6-8-13(9-7-12)16(17,18)19/h6-9H,5,10-11H2,1-4H3
InChIKeyOLBRVSQOOPFDET-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate

tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate (PubChem CID 102141080) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
PubChem CID102141080
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Nametert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate
SMILESCCN(CCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-5-20(14(21)22-15(2,3)4)11-10-12-6-8-13(9-7-12)16(17,18)19/h6-9H,5,10-11H2,1-4H3
InChIKeyOLBRVSQOOPFDET-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate (CID 102141080) is tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate is CCN(CCc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
The InChIKey is OLBRVSQOOPFDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-5-20(14(21)22-15(2,3)4)11-10-12-6-8-13(9-7-12)16(17,18)19/h6-9H,5,10-11H2,1-4H3.
What are the key properties of tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate?
tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate has a molecular weight of 317.35 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 102141080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).