2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline

C9H10F3NO — CID 58413286

IUPAC2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1OC(CF)CF
InChIInChI=1S/C9H10F3NO/c10-4-7(5-11)14-9-3-6(12)1-2-8(9)13/h1-3,7H,4-5,13H2
InChIKeyNIKAWMCRSFNKFW-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.09
Rot. Bonds4

About 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline

2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline (PubChem CID 58413286) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline.

Molecular Properties

Compound Name2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
PubChem CID58413286
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
SMILESNc1ccc(F)cc1OC(CF)CF
InChIInChI=1S/C9H10F3NO/c10-4-7(5-11)14-9-3-6(12)1-2-8(9)13/h1-3,7H,4-5,13H2
InChIKeyNIKAWMCRSFNKFW-UHFFFAOYSA-N
XLogP2.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.09
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-amino-5-fluorophenoxy)propane-1,3-diol
CID 117095564
4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline
CID 145312390
2-(2-amino-5-fluorophenoxy)butanoic acid
CID 64669488
2-[(1S)-1-ethoxy-2,2,2-trifluoroethoxy]-4-fluoroaniline
CID 125499554
(2-amino-5-fluorophenyl) 2-hydroxyacetate
CID 117095582
(3S)-3-(2-amino-5-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 129322807
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926
(2R)-2-(2-amino-5-fluorophenoxy)-6,6,6-trifluorohexan-3-one
CID 153210712
(2R)-2-(2-amino-5-fluorophenoxy)-6,6,6-trifluoro-5-(trifluoromethyl)hexan-3-one
CID 162053244
4-fluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62377670

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline?
The IUPAC name of 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline (CID 58413286) is 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline.
What is the SMILES notation for 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline?
The canonical SMILES for 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline is Nc1ccc(F)cc1OC(CF)CF.
What is the InChIKey of 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline?
The InChIKey is NIKAWMCRSFNKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-4-7(5-11)14-9-3-6(12)1-2-8(9)13/h1-3,7H,4-5,13H2.
What are the key properties of 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline?
2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline has a molecular weight of 205.18 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline is sourced from PubChem (CID 58413286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).