2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol

C12H14F5NO — CID 60692253

IUPAC2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO/c1-2-3-18(4-5-19)6-7-8(13)10(15)12(17)11(16)9(7)14/h19H,2-6H2,1H3
InChIKeyMUWMIDGIJHPSIT-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.59
Rot. Bonds6

About 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol

2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol (PubChem CID 60692253) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
PubChem CID60692253
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
SMILESCCCN(CCO)Cc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5NO/c1-2-3-18(4-5-19)6-7-8(13)10(15)12(17)11(16)9(7)14/h19H,2-6H2,1H3
InChIKeyMUWMIDGIJHPSIT-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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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Related Compounds

2-[(4-bromo-2,3,5,6-tetrafluorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 122152687
2-[(3-bromo-2,6-difluorophenyl)methyl-propylamino]ethanol
CID 106268665
2-[(4-fluorophenyl)methyl-propylamino]ethanol
CID 783658
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-propylamino]ethanol
CID 107113213
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol
CID 61425430
2-[(3-bromo-5-fluorophenyl)methyl-propylamino]ethanol
CID 79673319
2-[(2-chloro-5-fluorophenyl)methyl-propylamino]ethanol
CID 102609322
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
4-fluoro-3-[[2-hydroxyethyl(propyl)amino]methyl]benzohydrazide
CID 107458527

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol?
The IUPAC name of 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol (CID 60692253) is 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol.
What is the SMILES notation for 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol?
The canonical SMILES for 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol is CCCN(CCO)Cc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol?
The InChIKey is MUWMIDGIJHPSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-2-3-18(4-5-19)6-7-8(13)10(15)12(17)11(16)9(7)14/h19H,2-6H2,1H3.
What are the key properties of 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol?
2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol has a molecular weight of 283.24 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol is sourced from PubChem (CID 60692253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).