tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate

C10H18FN5O2 — CID 57466830

IUPACtert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnnn1CCF
InChIInChI=1S/C10H18FN5O2/c1-10(2,3)18-9(17)12-6-4-8-13-14-15-16(8)7-5-11/h4-7H2,1-3H3,(H,12,17)
InChIKeyGOOFTSDSMASZDU-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.71
Rot. Bonds5

About tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate

tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate (PubChem CID 57466830) has the molecular formula C10H18FN5O2 and a molecular weight of 259.28 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate
PubChem CID57466830
Molecular FormulaC10H18FN5O2
Molecular Weight259.28 g/mol
Exact Mass259.14
IUPAC Nametert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nnnn1CCF
InChIInChI=1S/C10H18FN5O2/c1-10(2,3)18-9(17)12-6-4-8-13-14-15-16(8)7-5-11/h4-7H2,1-3H3,(H,12,17)
InChIKeyGOOFTSDSMASZDU-UHFFFAOYSA-N
XLogP0.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate (CID 57466830) is tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nnnn1CCF.
What is the InChIKey of tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate?
The InChIKey is GOOFTSDSMASZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN5O2/c1-10(2,3)18-9(17)12-6-4-8-13-14-15-16(8)7-5-11/h4-7H2,1-3H3,(H,12,17).
What are the key properties of tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate has a molecular weight of 259.28 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(2-fluoroethyl)tetrazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 57466830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).