tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate

C16H20FNO2 — CID 122649607

IUPACtert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1/C=C/c1ccccc1F
InChIInChI=1S/C16H20FNO2/c1-16(2,3)20-15(19)18-14-10-12(14)9-8-11-6-4-5-7-13(11)17/h4-9,12,14H,10H2,1-3H3,(H,18,19)/b9-8+
InChIKeyBNOFUDLKELLQBQ-CMDGGOBGSA-N
MW277.34 g/mol
LogP3.75
Rot. Bonds3

About tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate

tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate (PubChem CID 122649607) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate
PubChem CID122649607
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Nametert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1/C=C/c1ccccc1F
InChIInChI=1S/C16H20FNO2/c1-16(2,3)20-15(19)18-14-10-12(14)9-8-11-6-4-5-7-13(11)17/h4-9,12,14H,10H2,1-3H3,(H,18,19)/b9-8+
InChIKeyBNOFUDLKELLQBQ-CMDGGOBGSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.75
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-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate (CID 122649607) is tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1/C=C/c1ccccc1F.
What is the InChIKey of tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate?
The InChIKey is BNOFUDLKELLQBQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-16(2,3)20-15(19)18-14-10-12(14)9-8-11-6-4-5-7-13(11)17/h4-9,12,14H,10H2,1-3H3,(H,18,19)/b9-8+.
What are the key properties of tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate?
tert-butyl N-[2-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate has a molecular weight of 277.34 g/mol, XLogP of 3.75, 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-[(E)-2-(2-fluorophenyl)ethenyl]cyclopropyl]carbamate is sourced from PubChem (CID 122649607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).