tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate

C10H20FNO2S — CID 130290281

IUPACtert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate
SMILESCC(CSCCF)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO2S/c1-8(7-15-6-5-11)12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyWBNXRIQAMRFGJP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.60
Rot. Bonds5

About tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate

tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate (PubChem CID 130290281) has the molecular formula C10H20FNO2S and a molecular weight of 237.34 g/mol. Its IUPAC name is tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate
PubChem CID130290281
Molecular FormulaC10H20FNO2S
Molecular Weight237.34 g/mol
Exact Mass237.12
IUPAC Nametert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate
SMILESCC(CSCCF)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO2S/c1-8(7-15-6-5-11)12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyWBNXRIQAMRFGJP-UHFFFAOYSA-N
XLogP2.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate (CID 130290281) is tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate is CC(CSCCF)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate?
The InChIKey is WBNXRIQAMRFGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2S/c1-8(7-15-6-5-11)12-9(13)14-10(2,3)4/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate?
tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate has a molecular weight of 237.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-fluoroethylsulfanyl)propan-2-yl]carbamate is sourced from PubChem (CID 130290281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).