[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate

C21H18F3NO2 — CID 134880380

IUPAC[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
SMILESC[C@@H](NC(=O)O[C@@H](c1cccc2ccccc12)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H18F3NO2/c1-14(15-8-3-2-4-9-15)25-20(26)27-19(21(22,23)24)18-13-7-11-16-10-5-6-12-17(16)18/h2-14,19H,1H3,(H,25,26)/t14-,19+/m1/s1
InChIKeyWHGOJYITYUZUAU-KUHUBIRLSA-N
MW373.37 g/mol
LogP5.93
Rot. Bonds4

About [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate

[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate (PubChem CID 134880380) has the molecular formula C21H18F3NO2 and a molecular weight of 373.37 g/mol. Its IUPAC name is [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate.

Molecular Properties

Compound Name[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
PubChem CID134880380
Molecular FormulaC21H18F3NO2
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
SMILESC[C@@H](NC(=O)O[C@@H](c1cccc2ccccc12)C(F)(F)F)c1ccccc1
InChIInChI=1S/C21H18F3NO2/c1-14(15-8-3-2-4-9-15)25-20(26)27-19(21(22,23)24)18-13-7-11-16-10-5-6-12-17(16)18/h2-14,19H,1H3,(H,25,26)/t14-,19+/m1/s1
InChIKeyWHGOJYITYUZUAU-KUHUBIRLSA-N
XLogP5.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.37
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzyl 1-phenylethylcarbamate
CID 9837961
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(3-naphthalen-1-ylpropyl)-1,3-oxazolidin-2-one
CID 137660313
naphthalen-1-ylmethyl N-cyclohexylcarbamate
CID 22978777
9-anthrylmethyl N-cyclohexylcarbamate
CID 22978795
US11141410, Example 6
CID 129273422
alpha-Oxycarbanilinophosphonate, 4l
CID 101962164
Cinacalcet carbamate
CID 15949807
benzyl N-[(2S)-1-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-phenylbut-3-en-2-yl]carbamate
CID 89090977
1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 134843457
Carbamic acid, (3,3-difluoro-1-(1-naphthalenylmethyl)-2,4-dioxo-4-((phenylmethyl)amino)butyl)-, phenylmethyl ester
CID 454612
[(1R)-2,2,2-trifluoro-1-[10-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]carbamoyloxy]ethyl]anthracen-9-yl]ethyl] N-[(1S)-1-phenylethyl]carbamate
CID 11125233
benzyl N-[(1R)-1-(4-fluorophenyl)ethyl]carbamate
CID 101836032

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate?
The IUPAC name of [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate (CID 134880380) is [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate.
What is the SMILES notation for [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate?
The canonical SMILES for [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate is C[C@@H](NC(=O)O[C@@H](c1cccc2ccccc12)C(F)(F)F)c1ccccc1.
What is the InChIKey of [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate?
The InChIKey is WHGOJYITYUZUAU-KUHUBIRLSA-N. The full InChI is InChI=1S/C21H18F3NO2/c1-14(15-8-3-2-4-9-15)25-20(26)27-19(21(22,23)24)18-13-7-11-16-10-5-6-12-17(16)18/h2-14,19H,1H3,(H,25,26)/t14-,19+/m1/s1.
What are the key properties of [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate?
[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate has a molecular weight of 373.37 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate is sourced from PubChem (CID 134880380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).