4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine

C16H16ClFN2O — CID 133379497

IUPAC4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(c2ncc(Cl)cc2F)CCO1
InChIInChI=1S/C16H16ClFN2O/c1-16(12-5-3-2-4-6-12)11-20(7-8-21-16)15-14(18)9-13(17)10-19-15/h2-6,9-10H,7-8,11H2,1H3
InChIKeyMEDFSRJXNRHZNB-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.63
Rot. Bonds2

About 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine

4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine (PubChem CID 133379497) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine.

Molecular Properties

Compound Name4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
PubChem CID133379497
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC Name4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
SMILESCC1(c2ccccc2)CN(c2ncc(Cl)cc2F)CCO1
InChIInChI=1S/C16H16ClFN2O/c1-16(12-5-3-2-4-6-12)11-20(7-8-21-16)15-14(18)9-13(17)10-19-15/h2-6,9-10H,7-8,11H2,1H3
InChIKeyMEDFSRJXNRHZNB-UHFFFAOYSA-N
XLogP3.63
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine?
The IUPAC name of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine (CID 133379497) is 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine.
What is the SMILES notation for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine?
The canonical SMILES for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine is CC1(c2ccccc2)CN(c2ncc(Cl)cc2F)CCO1.
What is the InChIKey of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine?
The InChIKey is MEDFSRJXNRHZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-16(12-5-3-2-4-6-12)11-20(7-8-21-16)15-14(18)9-13(17)10-19-15/h2-6,9-10H,7-8,11H2,1H3.
What are the key properties of 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine?
4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine has a molecular weight of 306.77 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine is sourced from PubChem (CID 133379497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).