4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol

C14H18Cl2FNO2 — CID 95339618

IUPAC4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
SMILESOCCCCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2FNO2/c15-11-8-12(16)13(17)7-10(11)14-9-18(4-6-20-14)3-1-2-5-19/h7-8,14,19H,1-6,9H2/t14-/m0/s1
InChIKeyHHYWVUOJZNOFMP-AWEZNQCLSA-N
MW322.21 g/mol
LogP3.28
Rot. Bonds5

About 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol

4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol (PubChem CID 95339618) has the molecular formula C14H18Cl2FNO2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol.

Molecular Properties

Compound Name4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
PubChem CID95339618
Molecular FormulaC14H18Cl2FNO2
Molecular Weight322.21 g/mol
Exact Mass321.07
IUPAC Name4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
SMILESOCCCCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1
InChIInChI=1S/C14H18Cl2FNO2/c15-11-8-12(16)13(17)7-10(11)14-9-18(4-6-20-14)3-1-2-5-19/h7-8,14,19H,1-6,9H2/t14-/m0/s1
InChIKeyHHYWVUOJZNOFMP-AWEZNQCLSA-N
XLogP3.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol?
The IUPAC name of 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol (CID 95339618) is 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol.
What is the SMILES notation for 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol?
The canonical SMILES for 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol is OCCCCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1.
What is the InChIKey of 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol?
The InChIKey is HHYWVUOJZNOFMP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H18Cl2FNO2/c15-11-8-12(16)13(17)7-10(11)14-9-18(4-6-20-14)3-1-2-5-19/h7-8,14,19H,1-6,9H2/t14-/m0/s1.
What are the key properties of 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol?
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol has a molecular weight of 322.21 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol is sourced from PubChem (CID 95339618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).