3-(2,6-difluoroanilino)propan-1-ol;ethane

C13H23F2NO — CID 156637319

IUPAC3-(2,6-difluoroanilino)propan-1-ol;ethane
SMILESCC.CC.OCCCNc1c(F)cccc1F
InChIInChI=1S/C9H11F2NO.2C2H6/c10-7-3-1-4-8(11)9(7)12-5-2-6-13;2*1-2/h1,3-4,12-13H,2,5-6H2;2*1-2H3
InChIKeyRFCZIWJOEDDZKD-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.81
Rot. Bonds4

About 3-(2,6-difluoroanilino)propan-1-ol;ethane

3-(2,6-difluoroanilino)propan-1-ol;ethane (PubChem CID 156637319) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-(2,6-difluoroanilino)propan-1-ol;ethane.

Molecular Properties

Compound Name3-(2,6-difluoroanilino)propan-1-ol;ethane
PubChem CID156637319
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3-(2,6-difluoroanilino)propan-1-ol;ethane
SMILESCC.CC.OCCCNc1c(F)cccc1F
InChIInChI=1S/C9H11F2NO.2C2H6/c10-7-3-1-4-8(11)9(7)12-5-2-6-13;2*1-2/h1,3-4,12-13H,2,5-6H2;2*1-2H3
InChIKeyRFCZIWJOEDDZKD-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,6-difluorophenyl)propane-1,3-diamine
CID 22968008
2,6-difluoro-N-(3-methoxypropyl)aniline
CID 60926433
2,6-difluoro-N-propylaniline
CID 21161523
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
4-(2,6-difluoroanilino)butanoic acid
CID 28974618
2,6-difluoro-N-(4-phenylbutyl)aniline
CID 114333174
N-ethyl-2,6-difluoroaniline
CID 23270171
3-(6-amino-2,3-difluoroanilino)propan-1-ol
CID 62532991
3-(2-chloro-6-methylanilino)propan-1-ol
CID 18324834
methyl 3-(2,6-difluoroanilino)propanoate
CID 43365450
2,6-difluoro-N-(3-phenoxypropyl)aniline
CID 62937465
5-(2-fluoroanilino)pentan-1-ol
CID 62227332

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoroanilino)propan-1-ol;ethane?
The IUPAC name of 3-(2,6-difluoroanilino)propan-1-ol;ethane (CID 156637319) is 3-(2,6-difluoroanilino)propan-1-ol;ethane.
What is the SMILES notation for 3-(2,6-difluoroanilino)propan-1-ol;ethane?
The canonical SMILES for 3-(2,6-difluoroanilino)propan-1-ol;ethane is CC.CC.OCCCNc1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluoroanilino)propan-1-ol;ethane?
The InChIKey is RFCZIWJOEDDZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.2C2H6/c10-7-3-1-4-8(11)9(7)12-5-2-6-13;2*1-2/h1,3-4,12-13H,2,5-6H2;2*1-2H3.
What are the key properties of 3-(2,6-difluoroanilino)propan-1-ol;ethane?
3-(2,6-difluoroanilino)propan-1-ol;ethane has a molecular weight of 247.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoroanilino)propan-1-ol;ethane is sourced from PubChem (CID 156637319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).