2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol

C9H10Cl2FNO — CID 61056644

IUPAC2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FNO/c1-9(13,4-14)5-2-8(12)7(11)3-6(5)10/h2-3,14H,4,13H2,1H3
InChIKeyJIMTTZZDMYZVQG-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.30
Rot. Bonds2

About 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol

2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol (PubChem CID 61056644) has the molecular formula C9H10Cl2FNO and a molecular weight of 238.09 g/mol. Its IUPAC name is 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
PubChem CID61056644
Molecular FormulaC9H10Cl2FNO
Molecular Weight238.09 g/mol
Exact Mass237.01
IUPAC Name2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
SMILESCC(N)(CO)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C9H10Cl2FNO/c1-9(13,4-14)5-2-8(12)7(11)3-6(5)10/h2-3,14H,4,13H2,1H3
InChIKeyJIMTTZZDMYZVQG-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627
1-(2-chloro-6-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-amine
CID 63408416
2-(2,4-dichloro-5-fluorophenyl)-3-methylbutan-2-amine
CID 60929261
2-(2,4-dichloro-5-fluorophenyl)-1,1-difluoropropan-2-amine
CID 131580102
1,5-dichloro-2-(1,1-dichloroethyl)-4-fluorobenzene
CID 175360558
2-(2,4-dichloro-5-fluorophenyl)-1-thiophen-3-ylpropan-2-amine
CID 62622766
2-(2,4-dichloro-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)propan-2-amine
CID 114347090
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
1-(2,4-dichloro-5-fluorophenyl)-1-(2,5-dichlorophenyl)ethanamine
CID 63408241
2-(5-chloro-2,4-difluorophenyl)butan-2-amine
CID 130133970
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
2-(2,4-dichloro-5-fluorophenyl)-4-methylpentan-2-ol
CID 60928779

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol (CID 61056644) is 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol is CC(N)(CO)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
The InChIKey is JIMTTZZDMYZVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2FNO/c1-9(13,4-14)5-2-8(12)7(11)3-6(5)10/h2-3,14H,4,13H2,1H3.
What are the key properties of 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol has a molecular weight of 238.09 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 61056644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).