2-(3,3-difluoropropoxy)aniline

C9H11F2NO — CID 84660949

IUPAC2-(3,3-difluoropropoxy)aniline
SMILESNc1ccccc1OCCC(F)F
InChIInChI=1S/C9H11F2NO/c10-9(11)5-6-13-8-4-2-1-3-7(8)12/h1-4,9H,5-6,12H2
InChIKeyRAIUGVDIIXIQBR-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.30
Rot. Bonds4

About 2-(3,3-difluoropropoxy)aniline

2-(3,3-difluoropropoxy)aniline (PubChem CID 84660949) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-(3,3-difluoropropoxy)aniline.

Molecular Properties

Compound Name2-(3,3-difluoropropoxy)aniline
PubChem CID84660949
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-(3,3-difluoropropoxy)aniline
SMILESNc1ccccc1OCCC(F)F
InChIInChI=1S/C9H11F2NO/c10-9(11)5-6-13-8-4-2-1-3-7(8)12/h1-4,9H,5-6,12H2
InChIKeyRAIUGVDIIXIQBR-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.30
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-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2,2-difluoroethyl 3-(2-aminophenoxy)propanoate
CID 61321548
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-octoxyaniline
CID 14747235
2-ethoxyaniline;molecular hydrogen
CID 144877970
2-(2-methylpentoxy)aniline
CID 45075234
(2-aminophenoxy)methanol
CID 22976615
2-[2-(pentan-2-ylamino)ethoxy]aniline
CID 107886628
2-(2,2,3,3,4,4-hexafluorobutoxy)aniline
CID 97178880
2-[2-[bis(3-methylbutyl)amino]ethoxy]aniline
CID 107869353
2-[2-(2-fluorophenyl)sulfanylethoxy]aniline
CID 43174494
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropropoxy)aniline?
The IUPAC name of 2-(3,3-difluoropropoxy)aniline (CID 84660949) is 2-(3,3-difluoropropoxy)aniline.
What is the SMILES notation for 2-(3,3-difluoropropoxy)aniline?
The canonical SMILES for 2-(3,3-difluoropropoxy)aniline is Nc1ccccc1OCCC(F)F.
What is the InChIKey of 2-(3,3-difluoropropoxy)aniline?
The InChIKey is RAIUGVDIIXIQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)5-6-13-8-4-2-1-3-7(8)12/h1-4,9H,5-6,12H2.
What are the key properties of 2-(3,3-difluoropropoxy)aniline?
2-(3,3-difluoropropoxy)aniline has a molecular weight of 187.19 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropropoxy)aniline is sourced from PubChem (CID 84660949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).