(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol

C9H11ClFNO — CID 28804612

IUPAC(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
SMILESN[C@H](CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO/c10-8-2-1-3-9(11)7(8)4-6(12)5-13/h1-3,6,13H,4-5,12H2/t6-/m0/s1
InChIKeyIYUHVOXHBJPSHY-LURJTMIESA-N
MW203.64 g/mol
LogP1.34
Rot. Bonds3

About (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol

(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol (PubChem CID 28804612) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
PubChem CID28804612
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol
SMILESN[C@H](CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C9H11ClFNO/c10-8-2-1-3-9(11)7(8)4-6(12)5-13/h1-3,6,13H,4-5,12H2/t6-/m0/s1
InChIKeyIYUHVOXHBJPSHY-LURJTMIESA-N
XLogP1.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2,6-dichlorophenyl)propan-1-ol
CID 18387991
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
CID 66059359
2-amino-3-(2-chloro-3,6-difluorophenyl)propan-1-ol
CID 131211507
4-amino-5-(2-chloro-6-fluorophenyl)pentanoic acid
CID 62962230
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanylpropan-2-amine
CID 65131589
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
1-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-amine
CID 62829669
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
2-amino-3-(3-chloro-2-fluorophenyl)propan-1-ol;hydrochloride
CID 170892601
1-(4-chlorophenyl)-3-(2,6-difluorophenyl)propan-2-amine
CID 114931762
1-(2-chloro-6-fluorophenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899971
2-(2-chloro-6-fluorophenyl)-1-(2,2-dimethylcyclopropyl)ethanamine
CID 107001824

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol?
The IUPAC name of (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol (CID 28804612) is (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol?
The canonical SMILES for (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol is N[C@H](CO)Cc1c(F)cccc1Cl.
What is the InChIKey of (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol?
The InChIKey is IYUHVOXHBJPSHY-LURJTMIESA-N. The full InChI is InChI=1S/C9H11ClFNO/c10-8-2-1-3-9(11)7(8)4-6(12)5-13/h1-3,6,13H,4-5,12H2/t6-/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol?
(2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol has a molecular weight of 203.64 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-chloro-6-fluorophenyl)propan-1-ol is sourced from PubChem (CID 28804612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).