tert-butyl N,N-bis(2-fluoroethyl)carbamate

C9H17F2NO2 — CID 142420542

IUPACtert-butyl N,N-bis(2-fluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCF)CCF
InChIInChI=1S/C9H17F2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKeyRFOAFLOLCSNZDX-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N,N-bis(2-fluoroethyl)carbamate

tert-butyl N,N-bis(2-fluoroethyl)carbamate (PubChem CID 142420542) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is tert-butyl N,N-bis(2-fluoroethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(2-fluoroethyl)carbamate
PubChem CID142420542
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Nametert-butyl N,N-bis(2-fluoroethyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCF)CCF
InChIInChI=1S/C9H17F2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3
InChIKeyRFOAFLOLCSNZDX-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
3-[2-carboxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 15666718
tert-butyl N-(4-aminobutyl)-N-(6-aminohexyl)carbamate
CID 57299810
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N,N-bis[2-[7-aminoheptyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 57136668
tert-butyl N-(4-hydroxybutyl)-N-[8-[4-hydroxybutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]octyl]carbamate
CID 18920510
tert-butyl N-(aminomethyl)-N-ethylcarbamate
CID 130382766
tert-butyl N,N-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]carbamate
CID 102129204
tert-butyl N-(2-phosphanylethyl)-N-propylcarbamate
CID 145297430
tert-butyl N,N-bis[3-(3-aminopropylamino)propyl]carbamate
CID 102240584
tert-butyl N-(5-aminopentyl)-N-(2-hydroxyethyl)carbamate
CID 167200930
tert-butyl N-(3-aminopropyl)-N-(3-methylbutyl)carbamate
CID 117003967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(2-fluoroethyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(2-fluoroethyl)carbamate (CID 142420542) is tert-butyl N,N-bis(2-fluoroethyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(2-fluoroethyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(2-fluoroethyl)carbamate is CC(C)(C)OC(=O)N(CCF)CCF.
What is the InChIKey of tert-butyl N,N-bis(2-fluoroethyl)carbamate?
The InChIKey is RFOAFLOLCSNZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7H2,1-3H3.
What are the key properties of tert-butyl N,N-bis(2-fluoroethyl)carbamate?
tert-butyl N,N-bis(2-fluoroethyl)carbamate has a molecular weight of 209.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(2-fluoroethyl)carbamate is sourced from PubChem (CID 142420542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).