2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol

C8H7F4NO — CID 18627999

IUPAC2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
SMILESNCC(O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H7F4NO/c9-4-1-3(5(14)2-13)6(10)8(12)7(4)11/h1,5,14H,2,13H2
InChIKeyDWCHNZBWZDNANO-UHFFFAOYSA-N
MW209.14 g/mol
LogP1.24
Rot. Bonds2

About 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol

2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol (PubChem CID 18627999) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
PubChem CID18627999
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol
SMILESNCC(O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H7F4NO/c9-4-1-3(5(14)2-13)6(10)8(12)7(4)11/h1,5,14H,2,13H2
InChIKeyDWCHNZBWZDNANO-UHFFFAOYSA-N
XLogP1.24
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 51.24
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

(1S)-1-(2,3,4,5-tetrafluorophenyl)ethane-1,2-diamine
CID 66516916
2-amino-1-[2,3-difluoro-5-(fluoromethyl)phenyl]ethanol
CID 84672949
(1S)-2-amino-1-(2,5-difluoro-4-methylphenyl)ethanol
CID 83001188
2-amino-1-(5-fluoro-2,4-dimethylphenyl)ethanol
CID 84769063
2-amino-1-(2,5-difluoro-4-methylsulfanylphenyl)ethanol
CID 117312254
4-(2-amino-1-hydroxyethyl)-2-fluoro-5-methylphenol
CID 84769635
5-(2-amino-1-hydroxyethyl)-2,4-difluorophenol
CID 117281266
(2S,3R)-2-amino-3-hydroxy-3-(2,3,4,5-tetrafluorophenyl)propanoic acid
CID 167713944
3-amino-1-(5-chloro-2,3-difluorophenyl)propan-1-ol
CID 84788316
1-(2,3,4,5-tetrafluorophenyl)ethylhydrazine
CID 53402186
1,2,3,4-tetrafluoro-5-[fluoro-[[fluoro-(2,3,4,5-tetrafluorophenyl)methyl]disulfanyl]methyl]benzene
CID 20977462
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol?
The IUPAC name of 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol (CID 18627999) is 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol is NCC(O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol?
The InChIKey is DWCHNZBWZDNANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-4-1-3(5(14)2-13)6(10)8(12)7(4)11/h1,5,14H,2,13H2.
What are the key properties of 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol?
2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol has a molecular weight of 209.14 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2,3,4,5-tetrafluorophenyl)ethanol is sourced from PubChem (CID 18627999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).