propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate

C16H22F3NO2 — CID 91747709

IUPACpropyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
SMILESCCCOC(=O)N(CC)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c1-4-9-22-15(21)20(5-2)12(3)10-13-7-6-8-14(11-13)16(17,18)19/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyQVEORWLLZSJTDA-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.50
Rot. Bonds6

About propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate

propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate (PubChem CID 91747709) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namepropyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
PubChem CID91747709
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC Namepropyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate
SMILESCCCOC(=O)N(CC)C(C)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3NO2/c1-4-9-22-15(21)20(5-2)12(3)10-13-7-6-8-14(11-13)16(17,18)19/h6-8,11-12H,4-5,9-10H2,1-3H3
InChIKeyQVEORWLLZSJTDA-UHFFFAOYSA-N
XLogP4.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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 propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The IUPAC name of propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate (CID 91747709) is propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate.
What is the SMILES notation for propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The canonical SMILES for propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate is CCCOC(=O)N(CC)C(C)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
The InChIKey is QVEORWLLZSJTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-4-9-22-15(21)20(5-2)12(3)10-13-7-6-8-14(11-13)16(17,18)19/h6-8,11-12H,4-5,9-10H2,1-3H3.
What are the key properties of propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate?
propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate has a molecular weight of 317.35 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 91747709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).