2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol

C8H7ClF3NO — CID 117324265

IUPAC2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
SMILESNC(CO)c1c(F)c(F)cc(Cl)c1F
InChIInChI=1S/C8H7ClF3NO/c9-3-1-4(10)8(12)6(7(3)11)5(13)2-14/h1,5,14H,2,13H2
InChIKeyPIFBIKKFIOHYEL-UHFFFAOYSA-N
MW225.60 g/mol
LogP1.75
Rot. Bonds2

About 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol

2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol (PubChem CID 117324265) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
PubChem CID117324265
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol
SMILESNC(CO)c1c(F)c(F)cc(Cl)c1F
InChIInChI=1S/C8H7ClF3NO/c9-3-1-4(10)8(12)6(7(3)11)5(13)2-14/h1,5,14H,2,13H2
InChIKeyPIFBIKKFIOHYEL-UHFFFAOYSA-N
XLogP1.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-2-(2-amino-3,5,6-trifluorophenyl)ethanol
CID 66514091
2-amino-2-(3-chloro-5-fluoro-2,6-dimethylphenyl)ethanol
CID 84785836
3-(1-amino-2-hydroxyethyl)-5-chloro-2-fluorobenzene-1,4-diol
CID 84788286
(2S)-2-amino-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171210325
2-amino-2-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117115476
(2S)-2-amino-2-(2,3-dichloro-6-fluorophenyl)ethanol
CID 130709750
2-amino-2-(5-bromo-2-chloro-4-fluorophenyl)ethanol
CID 84712247
(2R)-2-amino-2-(3,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171225420
(2S)-2-amino-2-(2,4,6-trifluorophenyl)ethanol;hydrochloride
CID 171204906
(2R)-2-amino-2-(4-amino-2,6-difluorophenyl)ethanol
CID 66514003
2-amino-2-(3-bromo-5-chloro-4-fluorophenyl)ethanol
CID 117424956
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol?
The IUPAC name of 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol (CID 117324265) is 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol.
What is the SMILES notation for 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol?
The canonical SMILES for 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol is NC(CO)c1c(F)c(F)cc(Cl)c1F.
What is the InChIKey of 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol?
The InChIKey is PIFBIKKFIOHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-3-1-4(10)8(12)6(7(3)11)5(13)2-14/h1,5,14H,2,13H2.
What are the key properties of 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol?
2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol has a molecular weight of 225.60 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-chloro-2,5,6-trifluorophenyl)ethanol is sourced from PubChem (CID 117324265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).