benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate

C14H15F6NO4 — CID 121233905

IUPACbenzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
SMILESO=C(OCc1ccccc1)N(CCOC(F)(F)F)CCOC(F)(F)F
InChIInChI=1S/C14H15F6NO4/c15-13(16,17)24-8-6-21(7-9-25-14(18,19)20)12(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyZPJGZYRIYASYRT-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.70
Rot. Bonds8

About benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate

benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate (PubChem CID 121233905) has the molecular formula C14H15F6NO4 and a molecular weight of 375.27 g/mol. Its IUPAC name is benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
PubChem CID121233905
Molecular FormulaC14H15F6NO4
Molecular Weight375.27 g/mol
Exact Mass375.09
IUPAC Namebenzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate
SMILESO=C(OCc1ccccc1)N(CCOC(F)(F)F)CCOC(F)(F)F
InChIInChI=1S/C14H15F6NO4/c15-13(16,17)24-8-6-21(7-9-25-14(18,19)20)12(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyZPJGZYRIYASYRT-UHFFFAOYSA-N
XLogP3.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23498447
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benzyl N-(3-chloro-2-oxopropyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 104701540
benzyl N-(2-phenylethyl)-N-propylcarbamate
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CID 132938956
benzyl N-ethyl-N-propylcarbamate
CID 126656974
benzyl N,N-dimethylcarbamate
CID 12963450
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
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CID 70968693

Frequently Asked Questions

What is the IUPAC name of benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate?
The IUPAC name of benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate (CID 121233905) is benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate.
What is the SMILES notation for benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate?
The canonical SMILES for benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate is O=C(OCc1ccccc1)N(CCOC(F)(F)F)CCOC(F)(F)F.
What is the InChIKey of benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate?
The InChIKey is ZPJGZYRIYASYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO4/c15-13(16,17)24-8-6-21(7-9-25-14(18,19)20)12(22)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate?
benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate has a molecular weight of 375.27 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N,N-bis[2-(trifluoromethoxy)ethyl]carbamate is sourced from PubChem (CID 121233905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).