(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol

C9H11ClFNO2 — CID 59761877

IUPAC(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
SMILESNC[C@@H](O)COc1cc(F)ccc1Cl
InChIInChI=1S/C9H11ClFNO2/c10-8-2-1-6(11)3-9(8)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/t7-/m1/s1
InChIKeyPNMBYJZAHKPABA-SSDOTTSWSA-N
MW219.64 g/mol
LogP1.18
Rot. Bonds4

About (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol

(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol (PubChem CID 59761877) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
PubChem CID59761877
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
SMILESNC[C@@H](O)COc1cc(F)ccc1Cl
InChIInChI=1S/C9H11ClFNO2/c10-8-2-1-6(11)3-9(8)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/t7-/m1/s1
InChIKeyPNMBYJZAHKPABA-SSDOTTSWSA-N
XLogP1.18
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol
CID 66793811
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
1-amino-3-(2-chloro-4,5-difluorophenoxy)propan-2-ol
CID 66793809
(2R)-1-(2-chloro-5-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 124625807
1-chloro-2-(2,2-difluoroethoxy)-4-fluorobenzene
CID 130501614
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
1-amino-3-(2-chloro-4,5-dimethylphenoxy)propan-2-ol
CID 59761773
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
1-amino-3-(6-chloro-2-fluoro-3-methylphenoxy)propan-2-ol
CID 59761721
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
2-amino-1-(2-chloro-5-fluorophenyl)ethanol
CID 82404297
(2S)-1-amino-3-(4-chloro-2-methylphenoxy)propan-2-ol
CID 9159069

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol?
The IUPAC name of (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol (CID 59761877) is (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol is NC[C@@H](O)COc1cc(F)ccc1Cl.
What is the InChIKey of (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol?
The InChIKey is PNMBYJZAHKPABA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c10-8-2-1-6(11)3-9(8)14-5-7(13)4-12/h1-3,7,13H,4-5,12H2/t7-/m1/s1.
What are the key properties of (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol?
(2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol has a molecular weight of 219.64 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-(2-chloro-5-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 59761877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).