2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate

C15H20F3NO2 — CID 175012156

IUPAC2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)N(CCc1ccccc1)C(=O)OCC(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-14(2,3)19(13(20)21-11-15(16,17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyVDESPIVAUQGMQA-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.03
Rot. Bonds4

About 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate

2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate (PubChem CID 175012156) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
PubChem CID175012156
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate
SMILESCC(C)(C)N(CCc1ccccc1)C(=O)OCC(F)(F)F
InChIInChI=1S/C15H20F3NO2/c1-14(2,3)19(13(20)21-11-15(16,17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3
InChIKeyVDESPIVAUQGMQA-UHFFFAOYSA-N
XLogP4.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroethoxy)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013794
2,2,2-trifluoroethyl N-benzyl-N-methylcarbamate
CID 65173330
2-(4-methylpiperazin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175337647
2-morpholin-4-ylethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175010495
2-(3,3-difluoropiperidin-1-yl)ethyl N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175013804
ethyl 3-[tert-butyl(2-phenylethyl)amino]-2-diazo-3-oxopropanoate
CID 102210383
[(1-methylpiperidine-4-carbonyl)amino] N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175009875
2,2,2-trifluoroethyl N-methyl-N-(3-phenoxypropyl)carbamate
CID 65168993
benzyl N-tert-butyl-N-(4-iodobutyl)carbamate
CID 91363624
2-[4-(2-aminoethyl)phenyl]ethyl-tert-butylcarbamic acid
CID 146598746
(2-benzyltetrazol-5-yl) N-tert-butyl-N-(2-phenylethyl)carbamate
CID 175020493
2-[phenylmethoxycarbonyl(propyl)amino]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 113235778

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate (CID 175012156) is 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate is CC(C)(C)N(CCc1ccccc1)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
The InChIKey is VDESPIVAUQGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-14(2,3)19(13(20)21-11-15(16,17)18)10-9-12-7-5-4-6-8-12/h4-8H,9-11H2,1-3H3.
What are the key properties of 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate?
2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate has a molecular weight of 303.32 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-tert-butyl-N-(2-phenylethyl)carbamate is sourced from PubChem (CID 175012156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).