benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate

C17H15F2NO2 — CID 123672506

IUPACbenzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
SMILESO=C(NC1CC1c1ccc(F)c(F)c1)OCc1ccccc1
InChIInChI=1S/C17H15F2NO2/c18-14-7-6-12(8-15(14)19)13-9-16(13)20-17(21)22-10-11-4-2-1-3-5-11/h1-8,13,16H,9-10H2,(H,20,21)
InChIKeyKNSWFWCAYMHUDL-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.75
Rot. Bonds4

About benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate

benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate (PubChem CID 123672506) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
PubChem CID123672506
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Namebenzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate
SMILESO=C(NC1CC1c1ccc(F)c(F)c1)OCc1ccccc1
InChIInChI=1S/C17H15F2NO2/c18-14-7-6-12(8-15(14)19)13-9-16(13)20-17(21)22-10-11-4-2-1-3-5-11/h1-8,13,16H,9-10H2,(H,20,21)
InChIKeyKNSWFWCAYMHUDL-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate?
The IUPAC name of benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate (CID 123672506) is benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate is O=C(NC1CC1c1ccc(F)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate?
The InChIKey is KNSWFWCAYMHUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c18-14-7-6-12(8-15(14)19)13-9-16(13)20-17(21)22-10-11-4-2-1-3-5-11/h1-8,13,16H,9-10H2,(H,20,21).
What are the key properties of benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate?
benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate has a molecular weight of 303.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3,4-difluorophenyl)cyclopropyl]carbamate is sourced from PubChem (CID 123672506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).