[1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate

C11H11F2NO2 — CID 166769657

IUPAC[1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate
SMILESCNC(=O)OC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H11F2NO2/c1-14-10(15)16-11(2-3-11)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyFQJZKOCYDKKODA-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.31
Rot. Bonds2

About [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate

[1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate (PubChem CID 166769657) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate
PubChem CID166769657
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name[1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate
SMILESCNC(=O)OC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H11F2NO2/c1-14-10(15)16-11(2-3-11)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyFQJZKOCYDKKODA-UHFFFAOYSA-N
XLogP2.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate?
The IUPAC name of [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate (CID 166769657) is [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate.
What is the SMILES notation for [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate?
The canonical SMILES for [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate is CNC(=O)OC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate?
The InChIKey is FQJZKOCYDKKODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-14-10(15)16-11(2-3-11)7-4-8(12)6-9(13)5-7/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate?
[1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate has a molecular weight of 227.21 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)cyclopropyl] N-methylcarbamate is sourced from PubChem (CID 166769657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).