1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate

C18H18F3NO2 — CID 70951814

IUPAC1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)13-22-17(23)24-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23)
InChIKeyXSCDYGZLZNXAJZ-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.65
Rot. Bonds6

About 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate

1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 70951814) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Name1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate
PubChem CID70951814
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate
SMILESO=C(NCC(F)(F)F)OC(CCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H18F3NO2/c19-18(20,21)13-22-17(23)24-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23)
InChIKeyXSCDYGZLZNXAJZ-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate (CID 70951814) is 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate is O=C(NCC(F)(F)F)OC(CCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is XSCDYGZLZNXAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c19-18(20,21)13-22-17(23)24-16(15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,22,23).
What are the key properties of 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate?
1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 337.34 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropyl N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 70951814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).