2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol

C21H25ClFNO2 — CID 23606605

IUPAC2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol
SMILESCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClFNO2/c1-2-21(25,17-5-9-19(23)10-6-17)20(15-24-11-13-26-14-12-24)16-3-7-18(22)8-4-16/h3-10,20,25H,2,11-15H2,1H3
InChIKeyQQJSDJFZMAJBAI-UHFFFAOYSA-N
MW377.89 g/mol
LogP4.19
Rot. Bonds6

About 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol

2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol (PubChem CID 23606605) has the molecular formula C21H25ClFNO2 and a molecular weight of 377.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol
PubChem CID23606605
Molecular FormulaC21H25ClFNO2
Molecular Weight377.89 g/mol
Exact Mass377.16
IUPAC Name2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol
SMILESCCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H25ClFNO2/c1-2-21(25,17-5-9-19(23)10-6-17)20(15-24-11-13-26-14-12-24)16-3-7-18(22)8-4-16/h3-10,20,25H,2,11-15H2,1H3
InChIKeyQQJSDJFZMAJBAI-UHFFFAOYSA-N
XLogP4.19
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol (CID 23606605) is 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol is CCC(O)(c1ccc(F)cc1)C(CN1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol?
The InChIKey is QQJSDJFZMAJBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClFNO2/c1-2-21(25,17-5-9-19(23)10-6-17)20(15-24-11-13-26-14-12-24)16-3-7-18(22)8-4-16/h3-10,20,25H,2,11-15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol?
2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol has a molecular weight of 377.89 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-fluorophenyl)-1-morpholin-4-ylpentan-3-ol is sourced from PubChem (CID 23606605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).