1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

C11H15ClFNO — CID 62773932

IUPAC1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyOIKMGCGNCGOCDT-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.51
Rot. Bonds4

About 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol

1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (PubChem CID 62773932) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
PubChem CID62773932
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol
SMILESCC(C)NCC(O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H15ClFNO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3
InChIKeyOIKMGCGNCGOCDT-UHFFFAOYSA-N
XLogP2.51
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol (CID 62773932) is 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is CC(C)NCC(O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
The InChIKey is OIKMGCGNCGOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-7(2)14-6-11(15)8-3-4-9(12)10(13)5-8/h3-5,7,11,14-15H,6H2,1-2H3.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol?
1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol has a molecular weight of 231.70 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-2-(propan-2-ylamino)ethanol is sourced from PubChem (CID 62773932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).