tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate

C15H17FO3 — CID 54203186

IUPACtert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FO3/c1-15(2,3)19-14(18)12-8-11(12)13(17)9-5-4-6-10(16)7-9/h4-7,11-12H,8H2,1-3H3
InChIKeyPQQXAAPCJFBXRP-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.99
Rot. Bonds3

About tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate

tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate (PubChem CID 54203186) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate
PubChem CID54203186
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Nametert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CC1C(=O)c1cccc(F)c1
InChIInChI=1S/C15H17FO3/c1-15(2,3)19-14(18)12-8-11(12)13(17)9-5-4-6-10(16)7-9/h4-7,11-12H,8H2,1-3H3
InChIKeyPQQXAAPCJFBXRP-UHFFFAOYSA-N
XLogP2.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate (CID 54203186) is tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate is CC(C)(C)OC(=O)C1CC1C(=O)c1cccc(F)c1.
What is the InChIKey of tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate?
The InChIKey is PQQXAAPCJFBXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-15(2,3)19-14(18)12-8-11(12)13(17)9-5-4-6-10(16)7-9/h4-7,11-12H,8H2,1-3H3.
What are the key properties of tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate?
tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-fluorobenzoyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 54203186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).