2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol

C12H14F5NO — CID 61447886

IUPAC2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol
SMILESCCCCN(CCO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO/c1-2-3-4-18(5-6-19)12-10(16)8(14)7(13)9(15)11(12)17/h19H,2-6H2,1H3
InChIKeyQOQLGZFAXUPOPE-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.98
Rot. Bonds6

About 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol

2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol (PubChem CID 61447886) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol.

Molecular Properties

Compound Name2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol
PubChem CID61447886
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol
SMILESCCCCN(CCO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO/c1-2-3-4-18(5-6-19)12-10(16)8(14)7(13)9(15)11(12)17/h19H,2-6H2,1H3
InChIKeyQOQLGZFAXUPOPE-UHFFFAOYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol?
The IUPAC name of 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol (CID 61447886) is 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol.
What is the SMILES notation for 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol?
The canonical SMILES for 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol is CCCCN(CCO)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol?
The InChIKey is QOQLGZFAXUPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-2-3-4-18(5-6-19)12-10(16)8(14)7(13)9(15)11(12)17/h19H,2-6H2,1H3.
What are the key properties of 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol?
2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol has a molecular weight of 283.24 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol is sourced from PubChem (CID 61447886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).