1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol

C9H10ClF2NO2 — CID 66793809

IUPAC1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
SMILESNCC(O)COc1cc(F)c(F)cc1Cl
InChIInChI=1S/C9H10ClF2NO2/c10-6-1-7(11)8(12)2-9(6)15-4-5(14)3-13/h1-2,5,14H,3-4,13H2
InChIKeyFVZZLQNMIKQTOU-UHFFFAOYSA-N
MW237.63 g/mol
LogP1.32
Rot. Bonds4

About 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol

1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol (PubChem CID 66793809) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
PubChem CID66793809
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
SMILESNCC(O)COc1cc(F)c(F)cc1Cl
InChIInChI=1S/C9H10ClF2NO2/c10-6-1-7(11)8(12)2-9(6)15-4-5(14)3-13/h1-2,5,14H,3-4,13H2
InChIKeyFVZZLQNMIKQTOU-UHFFFAOYSA-N
XLogP1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 59761877
1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
CID 59761773
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069
1-amino-3-(2,4,6-trichlorophenoxy)propan-2-ol
CID 16642389
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
CID 59761721
N-[2-[(2R)-3-amino-2-hydroxypropoxy]-5-chloro-4-methoxyphenyl]acetamide
CID 69174441
1-amino-3-(2-bromo-4,6-difluorophenoxy)propan-2-ol
CID 66793719
(2R)-1-amino-3-(2-bromo-4-methylphenoxy)propan-2-ol
CID 28602583
1-amino-3-(2,4-diaminophenoxy)propan-2-ol
CID 19835524

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol?
The IUPAC name of 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol (CID 66793809) is 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol?
The canonical SMILES for 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol is NCC(O)COc1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol?
The InChIKey is FVZZLQNMIKQTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c10-6-1-7(11)8(12)2-9(6)15-4-5(14)3-13/h1-2,5,14H,3-4,13H2.
What are the key properties of 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol?
1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol has a molecular weight of 237.63 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol is sourced from PubChem (CID 66793809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).