tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

C13H21FO2 — CID 139939005

IUPACtert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(F)=CC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C13H21FO2/c1-8(14)7-9-10(13(9,5)6)11(15)16-12(2,3)4/h7,9-10H,1-6H3
InChIKeyHYZMXNYKXZKVHJ-UHFFFAOYSA-N
MW228.31 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 139939005) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID139939005
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Nametert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC(F)=CC1C(C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C13H21FO2/c1-8(14)7-9-10(13(9,5)6)11(15)16-12(2,3)4/h7,9-10H,1-6H3
InChIKeyHYZMXNYKXZKVHJ-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 139939005) is tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate is CC(F)=CC1C(C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is HYZMXNYKXZKVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO2/c1-8(14)7-9-10(13(9,5)6)11(15)16-12(2,3)4/h7,9-10H,1-6H3.
What are the key properties of tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate?
tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 228.31 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-fluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 139939005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).