(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol

C10H13ClFNO2 — CID 97180134

IUPAC(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol
SMILESNC[C@H](O)COCc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO2/c11-9-2-1-7(3-10(9)12)5-15-6-8(14)4-13/h1-3,8,14H,4-6,13H2/t8-/m0/s1
InChIKeyBHXMUPHPLANJTB-QMMMGPOBSA-N
MW233.67 g/mol
LogP1.32
Rot. Bonds5

About (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol

(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol (PubChem CID 97180134) has the molecular formula C10H13ClFNO2 and a molecular weight of 233.67 g/mol. Its IUPAC name is (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol
PubChem CID97180134
Molecular FormulaC10H13ClFNO2
Molecular Weight233.67 g/mol
Exact Mass233.06
IUPAC Name(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol
SMILESNC[C@H](O)COCc1ccc(Cl)c(F)c1
InChIInChI=1S/C10H13ClFNO2/c11-9-2-1-7(3-10(9)12)5-15-6-8(14)4-13/h1-3,8,14H,4-6,13H2/t8-/m0/s1
InChIKeyBHXMUPHPLANJTB-QMMMGPOBSA-N
XLogP1.32
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol (CID 97180134) is (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol is NC[C@H](O)COCc1ccc(Cl)c(F)c1.
What is the InChIKey of (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is BHXMUPHPLANJTB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13ClFNO2/c11-9-2-1-7(3-10(9)12)5-15-6-8(14)4-13/h1-3,8,14H,4-6,13H2/t8-/m0/s1.
What are the key properties of (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol?
(2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 233.67 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-[(4-chloro-3-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 97180134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).