2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol

C15H14F3NO — CID 61049920

IUPAC2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccccc1F)c1c(F)cccc1F
InChIInChI=1S/C15H14F3NO/c1-15(9-20,14-11(17)6-4-7-12(14)18)19-13-8-3-2-5-10(13)16/h2-8,19-20H,9H2,1H3
InChIKeyNFROIRMZILKKOQ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.42
Rot. Bonds4

About 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol

2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol (PubChem CID 61049920) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
PubChem CID61049920
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccccc1F)c1c(F)cccc1F
InChIInChI=1S/C15H14F3NO/c1-15(9-20,14-11(17)6-4-7-12(14)18)19-13-8-3-2-5-10(13)16/h2-8,19-20H,9H2,1H3
InChIKeyNFROIRMZILKKOQ-UHFFFAOYSA-N
XLogP3.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-anilino-2-(2,6-difluorophenyl)propan-1-ol
CID 61046430
2-(2-fluoroanilino)-2-pyridin-2-ylpropan-1-ol
CID 61050104
2-(2,4-dimethylphenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049729
2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
CID 61053956
2-(4-bromo-2-chlorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 82779756
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
2-(2-fluoroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834228
2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol (CID 61049920) is 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol is CC(CO)(Nc1ccccc1F)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol?
The InChIKey is NFROIRMZILKKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-15(9-20,14-11(17)6-4-7-12(14)18)19-13-8-3-2-5-10(13)16/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol?
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol has a molecular weight of 281.28 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol is sourced from PubChem (CID 61049920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).