2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol

C15H16F2N2O — CID 115940892

IUPAC2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
SMILESCCC(CO)(Nc1ccccc1F)c1ccc(F)cn1
InChIInChI=1S/C15H16F2N2O/c1-2-15(10-20,14-8-7-11(16)9-18-14)19-13-6-4-3-5-12(13)17/h3-9,19-20H,2,10H2,1H3
InChIKeyXZFKNNHWZJYLAZ-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.07
Rot. Bonds5

About 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol

2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol (PubChem CID 115940892) has the molecular formula C15H16F2N2O and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
PubChem CID115940892
Molecular FormulaC15H16F2N2O
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
SMILESCCC(CO)(Nc1ccccc1F)c1ccc(F)cn1
InChIInChI=1S/C15H16F2N2O/c1-2-15(10-20,14-8-7-11(16)9-18-14)19-13-6-4-3-5-12(13)17/h3-9,19-20H,2,10H2,1H3
InChIKeyXZFKNNHWZJYLAZ-UHFFFAOYSA-N
XLogP3.07
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2-pyridinyl)-2-(2-methoxyanilino)butan-1-ol
CID 115940889
2-(3-fluoro-5-methylanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol
CID 115940894
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
2-(2-bromoanilino)-2-(4-fluorophenyl)butan-1-ol
CID 61050041
2-(5-fluoro-2-pyridinyl)-2-(2-methylanilino)butanamide
CID 115938831
2-(2-fluoroanilino)-2-pyridin-2-ylpropan-1-ol
CID 61050104
methyl 3-(5-fluoro-2-pyridinyl)-3-(methylamino)pentanoate
CID 112586720
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920
2-(2-fluoroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834228
2-(2-fluorophenyl)-2-(methylamino)butan-1-ol
CID 112679658
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
The IUPAC name of 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol (CID 115940892) is 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
The canonical SMILES for 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol is CCC(CO)(Nc1ccccc1F)c1ccc(F)cn1.
What is the InChIKey of 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
The InChIKey is XZFKNNHWZJYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O/c1-2-15(10-20,14-8-7-11(16)9-18-14)19-13-6-4-3-5-12(13)17/h3-9,19-20H,2,10H2,1H3.
What are the key properties of 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol?
2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol has a molecular weight of 278.30 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-(5-fluoro-2-pyridinyl)butan-1-ol is sourced from PubChem (CID 115940892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).