tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate

C12H20FNO3 — CID 148720927

IUPACtert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate
SMILESCC(C)(C)OC(=O)CC1(C(=O)NCCF)CC1
InChIInChI=1S/C12H20FNO3/c1-11(2,3)17-9(15)8-12(4-5-12)10(16)14-7-6-13/h4-8H2,1-3H3,(H,14,16)
InChIKeyNZBIGZFAWYKTCX-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.58
Rot. Bonds5

About tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate

tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate (PubChem CID 148720927) has the molecular formula C12H20FNO3 and a molecular weight of 245.29 g/mol. Its IUPAC name is tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate
PubChem CID148720927
Molecular FormulaC12H20FNO3
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Nametert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate
SMILESCC(C)(C)OC(=O)CC1(C(=O)NCCF)CC1
InChIInChI=1S/C12H20FNO3/c1-11(2,3)17-9(15)8-12(4-5-12)10(16)14-7-6-13/h4-8H2,1-3H3,(H,14,16)
InChIKeyNZBIGZFAWYKTCX-UHFFFAOYSA-N
XLogP1.58
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate?
The IUPAC name of tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate (CID 148720927) is tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate?
The canonical SMILES for tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate is CC(C)(C)OC(=O)CC1(C(=O)NCCF)CC1.
What is the InChIKey of tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate?
The InChIKey is NZBIGZFAWYKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO3/c1-11(2,3)17-9(15)8-12(4-5-12)10(16)14-7-6-13/h4-8H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate?
tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate has a molecular weight of 245.29 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2-fluoroethylcarbamoyl)cyclopropyl]acetate is sourced from PubChem (CID 148720927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).