2-amino-1-(2-chloro-5-fluorophenyl)ethanol

C8H9ClFNO — CID 82404297

IUPAC2-amino-1-(2-chloro-5-fluorophenyl)ethanol
SMILESNCC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C8H9ClFNO/c9-7-2-1-5(10)3-6(7)8(12)4-11/h1-3,8,12H,4,11H2
InChIKeyHFWIJTWQUZFYKV-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-1-(2-chloro-5-fluorophenyl)ethanol

2-amino-1-(2-chloro-5-fluorophenyl)ethanol (PubChem CID 82404297) has the molecular formula C8H9ClFNO and a molecular weight of 189.62 g/mol. Its IUPAC name is 2-amino-1-(2-chloro-5-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-chloro-5-fluorophenyl)ethanol
PubChem CID82404297
Molecular FormulaC8H9ClFNO
Molecular Weight189.62 g/mol
Exact Mass189.04
IUPAC Name2-amino-1-(2-chloro-5-fluorophenyl)ethanol
SMILESNCC(O)c1cc(F)ccc1Cl
InChIInChI=1S/C8H9ClFNO/c9-7-2-1-5(10)3-6(7)8(12)4-11/h1-3,8,12H,4,11H2
InChIKeyHFWIJTWQUZFYKV-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
1-(2-chloro-5-fluorophenyl)propan-1-ol
CID 105393866
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
2-(2-chloro-5-fluorophenyl)-3-fluoropropan-1-amine
CID 83819971
(2-chloro-5-fluorophenyl)methanediol
CID 71441110
2-amino-1-(2-bromo-5-fluorophenyl)ethanol
CID 83714678
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
(1R)-1-(2-chloro-5-fluorophenyl)propane-1,3-diamine
CID 130854068
2-(2-amino-1-hydroxyethyl)-4-fluorobenzaldehyde
CID 117279374
1-(2-chloro-5-fluorophenyl)propane-1,2,3-triol
CID 170817435
1-(2-chloro-5-fluorophenyl)-2-(2-methylphenyl)ethanol
CID 105394441

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-chloro-5-fluorophenyl)ethanol?
The IUPAC name of 2-amino-1-(2-chloro-5-fluorophenyl)ethanol (CID 82404297) is 2-amino-1-(2-chloro-5-fluorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-chloro-5-fluorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-chloro-5-fluorophenyl)ethanol is NCC(O)c1cc(F)ccc1Cl.
What is the InChIKey of 2-amino-1-(2-chloro-5-fluorophenyl)ethanol?
The InChIKey is HFWIJTWQUZFYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClFNO/c9-7-2-1-5(10)3-6(7)8(12)4-11/h1-3,8,12H,4,11H2.
What are the key properties of 2-amino-1-(2-chloro-5-fluorophenyl)ethanol?
2-amino-1-(2-chloro-5-fluorophenyl)ethanol has a molecular weight of 189.62 g/mol, XLogP of 1.47, 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-chloro-5-fluorophenyl)ethanol is sourced from PubChem (CID 82404297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).