tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate

C20H22FNO2 — CID 134847432

IUPACtert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CC1(F)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-18(2,3)24-17(23)22-20(16-12-8-5-9-13-16)14-19(20,21)15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyBJZAMXFOVXEKDR-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.68
Rot. Bonds3

About tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate

tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate (PubChem CID 134847432) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate
PubChem CID134847432
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC Nametert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ccccc2)CC1(F)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-18(2,3)24-17(23)22-20(16-12-8-5-9-13-16)14-19(20,21)15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,22,23)
InChIKeyBJZAMXFOVXEKDR-UHFFFAOYSA-N
XLogP4.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate (CID 134847432) is tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate is CC(C)(C)OC(=O)NC1(c2ccccc2)CC1(F)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate?
The InChIKey is BJZAMXFOVXEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-18(2,3)24-17(23)22-20(16-12-8-5-9-13-16)14-19(20,21)15-10-6-4-7-11-15/h4-13H,14H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate?
tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate has a molecular weight of 327.40 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-1,2-diphenylcyclopropyl)carbamate is sourced from PubChem (CID 134847432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).