1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol

C10H10F5NO — CID 115564312

IUPAC1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol
SMILESCCC(O)CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO/c1-2-4(17)3-16-10-8(14)6(12)5(11)7(13)9(10)15/h4,16-17H,2-3H2,1H3
InChIKeyIUUOSEHXINYPEA-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol

1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol (PubChem CID 115564312) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol
PubChem CID115564312
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol
SMILESCCC(O)CNc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H10F5NO/c1-2-4(17)3-16-10-8(14)6(12)5(11)7(13)9(10)15/h4,16-17H,2-3H2,1H3
InChIKeyIUUOSEHXINYPEA-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-((4-Fluorophenyl)amino)ethan-1-ol
CID 25791236
1-(Phenylamino)propan-2-ol
CID 458691
3-Anilinobutan-2-ol
CID 13494330
2-(2,3,5,6-Tetrafluoroanilino)ethanol
CID 13626313
2-(2,3,5,6-Tetrafluoro-4-iodoanilino)ethanol
CID 91276321
(2S,3S)-3-(2-fluoroanilino)butan-2-ol
CID 130631169
(2S,3S)-3-anilinobutan-2-ol
CID 13494332
1-(Phenylamino)butan-2-ol
CID 14072197
(2R)-1-anilinopropan-2-ol
CID 40572408
(2S)-3-anilinobutan-2-ol
CID 134964968
N'-[(2S)-1-hydroxypropan-2-yl]-N-(2,3,4,5,6-pentafluorophenyl)oxamide
CID 93737501
2-(2,3,4,5,6-Pentafluoroanilino)-1-ethanol
CID 2781254

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol?
The IUPAC name of 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol (CID 115564312) is 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol?
The canonical SMILES for 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol is CCC(O)CNc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol?
The InChIKey is IUUOSEHXINYPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c1-2-4(17)3-16-10-8(14)6(12)5(11)7(13)9(10)15/h4,16-17H,2-3H2,1H3.
What are the key properties of 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol?
1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol has a molecular weight of 255.19 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluoroanilino)butan-2-ol is sourced from PubChem (CID 115564312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).