2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate

C10H20FNO2 — CID 88877649

IUPAC2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCCF)C(C)(C)C
InChIInChI=1S/C10H20FNO2/c1-8(2)12(10(3,4)5)9(13)14-7-6-11/h8H,6-7H2,1-5H3
InChIKeyCIWXDSXGLWVUIG-UHFFFAOYSA-N
MW205.27 g/mol
LogP2.60
Rot. Bonds3

About 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate

2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate (PubChem CID 88877649) has the molecular formula C10H20FNO2 and a molecular weight of 205.27 g/mol. Its IUPAC name is 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate.

Molecular Properties

Compound Name2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate
PubChem CID88877649
Molecular FormulaC10H20FNO2
Molecular Weight205.27 g/mol
Exact Mass205.15
IUPAC Name2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate
SMILESCC(C)N(C(=O)OCCF)C(C)(C)C
InChIInChI=1S/C10H20FNO2/c1-8(2)12(10(3,4)5)9(13)14-7-6-11/h8H,6-7H2,1-5H3
InChIKeyCIWXDSXGLWVUIG-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate?
The IUPAC name of 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate (CID 88877649) is 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate.
What is the SMILES notation for 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate?
The canonical SMILES for 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate is CC(C)N(C(=O)OCCF)C(C)(C)C.
What is the InChIKey of 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate?
The InChIKey is CIWXDSXGLWVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO2/c1-8(2)12(10(3,4)5)9(13)14-7-6-11/h8H,6-7H2,1-5H3.
What are the key properties of 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate?
2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate has a molecular weight of 205.27 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl N-tert-butyl-N-propan-2-ylcarbamate is sourced from PubChem (CID 88877649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).