[4-(difluoromethyl)phenyl] N-methylcarbamate

C9H9F2NO2 — CID 144730413

IUPAC[4-(difluoromethyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C(F)F)cc1
InChIInChI=1S/C9H9F2NO2/c1-12-9(13)14-7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeyKZHQVGYQKKMFJL-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.34
Rot. Bonds2

About [4-(difluoromethyl)phenyl] N-methylcarbamate

[4-(difluoromethyl)phenyl] N-methylcarbamate (PubChem CID 144730413) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is [4-(difluoromethyl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-(difluoromethyl)phenyl] N-methylcarbamate
PubChem CID144730413
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name[4-(difluoromethyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(C(F)F)cc1
InChIInChI=1S/C9H9F2NO2/c1-12-9(13)14-7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3,(H,12,13)
InChIKeyKZHQVGYQKKMFJL-UHFFFAOYSA-N
XLogP2.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)phenyl] N-methylcarbamate?
The IUPAC name of [4-(difluoromethyl)phenyl] N-methylcarbamate (CID 144730413) is [4-(difluoromethyl)phenyl] N-methylcarbamate.
What is the SMILES notation for [4-(difluoromethyl)phenyl] N-methylcarbamate?
The canonical SMILES for [4-(difluoromethyl)phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(C(F)F)cc1.
What is the InChIKey of [4-(difluoromethyl)phenyl] N-methylcarbamate?
The InChIKey is KZHQVGYQKKMFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-12-9(13)14-7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3,(H,12,13).
What are the key properties of [4-(difluoromethyl)phenyl] N-methylcarbamate?
[4-(difluoromethyl)phenyl] N-methylcarbamate has a molecular weight of 201.17 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)phenyl] N-methylcarbamate is sourced from PubChem (CID 144730413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).