N-(difluoromethoxy)-N-ethylaniline

C9H11F2NO — CID 87689991

IUPACN-(difluoromethoxy)-N-ethylaniline
SMILESCCN(OC(F)F)c1ccccc1
InChIInChI=1S/C9H11F2NO/c1-2-12(13-9(10)11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyNUTRFFKXTPDARB-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.67
Rot. Bonds4

About N-(difluoromethoxy)-N-ethylaniline

N-(difluoromethoxy)-N-ethylaniline (PubChem CID 87689991) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is N-(difluoromethoxy)-N-ethylaniline.

Molecular Properties

Compound NameN-(difluoromethoxy)-N-ethylaniline
PubChem CID87689991
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC NameN-(difluoromethoxy)-N-ethylaniline
SMILESCCN(OC(F)F)c1ccccc1
InChIInChI=1S/C9H11F2NO/c1-2-12(13-9(10)11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyNUTRFFKXTPDARB-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethoxy)-N-ethylaniline?
The IUPAC name of N-(difluoromethoxy)-N-ethylaniline (CID 87689991) is N-(difluoromethoxy)-N-ethylaniline.
What is the SMILES notation for N-(difluoromethoxy)-N-ethylaniline?
The canonical SMILES for N-(difluoromethoxy)-N-ethylaniline is CCN(OC(F)F)c1ccccc1.
What is the InChIKey of N-(difluoromethoxy)-N-ethylaniline?
The InChIKey is NUTRFFKXTPDARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-12(13-9(10)11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of N-(difluoromethoxy)-N-ethylaniline?
N-(difluoromethoxy)-N-ethylaniline has a molecular weight of 187.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethoxy)-N-ethylaniline is sourced from PubChem (CID 87689991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).