4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline

C9H9F4NO — CID 155818639

IUPAC4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
SMILESNc1ccc(OCC(F)F)cc1C(F)F
InChIInChI=1S/C9H9F4NO/c10-8(11)4-15-5-1-2-7(14)6(3-5)9(12)13/h1-3,8-9H,4,14H2
InChIKeyNXIJSCMLPNQPJF-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.85
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline

4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline (PubChem CID 155818639) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
PubChem CID155818639
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline
SMILESNc1ccc(OCC(F)F)cc1C(F)F
InChIInChI=1S/C9H9F4NO/c10-8(11)4-15-5-1-2-7(14)6(3-5)9(12)13/h1-3,8-9H,4,14H2
InChIKeyNXIJSCMLPNQPJF-UHFFFAOYSA-N
XLogP2.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-4-methoxyaniline
CID 45091134
propan-2-yl 2-amino-5-(2,2-difluoroethoxy)benzoate
CID 79778503
2-(1-amino-3-methylbutyl)-4-(2-methylpropoxy)aniline
CID 83988070
1-bromo-4-(2,2-difluoroethoxy)-2-fluorobenzene
CID 65203003
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
[5-(2,2-difluoroethoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 82004812
5-(2,2-difluoroethoxy)-2,3-dihydro-1H-isoindole
CID 115076085
[2-(difluoromethyl)-4-ethoxyphenyl]hydrazine
CID 118809032
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116
1-(chloromethyl)-4-(2,2-difluoroethoxy)-2-methylbenzene
CID 87426607
3-[4-(2,2-difluoroethoxy)phenyl]propan-1-amine
CID 84783908
3-bromo-5-(2,2-difluoroethoxy)aniline
CID 99770347

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline (CID 155818639) is 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline is Nc1ccc(OCC(F)F)cc1C(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline?
The InChIKey is NXIJSCMLPNQPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-8(11)4-15-5-1-2-7(14)6(3-5)9(12)13/h1-3,8-9H,4,14H2.
What are the key properties of 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline?
4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline has a molecular weight of 223.17 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-(difluoromethyl)aniline is sourced from PubChem (CID 155818639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).