1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol

C11H15ClFNO — CID 103039654

IUPAC1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-14(2)7-9(15)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,15H,5,7H2,1-2H3
InChIKeyIYXOYVHLNMBTIX-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.94
Rot. Bonds4

About 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol

1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol (PubChem CID 103039654) has the molecular formula C11H15ClFNO and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol
PubChem CID103039654
Molecular FormulaC11H15ClFNO
Molecular Weight231.70 g/mol
Exact Mass231.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol
SMILESCN(C)CC(O)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H15ClFNO/c1-14(2)7-9(15)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,15H,5,7H2,1-2H3
InChIKeyIYXOYVHLNMBTIX-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol (CID 103039654) is 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol is CN(C)CC(O)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol?
The InChIKey is IYXOYVHLNMBTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO/c1-14(2)7-9(15)5-8-3-4-11(13)10(12)6-8/h3-4,6,9,15H,5,7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol?
1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol has a molecular weight of 231.70 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 103039654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).