(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine

C12H14BrClFNO — CID 170961562

IUPAC(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine
SMILESC[C@H]1CNCC(Cc2c(F)cc(Cl)cc2Br)O1
InChIInChI=1S/C12H14BrClFNO/c1-7-5-16-6-9(17-7)4-10-11(13)2-8(14)3-12(10)15/h2-3,7,9,16H,4-6H2,1H3/t7-,9?/m0/s1
InChIKeyOADOJFMJMDYBTM-JAVCKPHESA-N
MW322.61 g/mol
LogP3.16
Rot. Bonds2

About (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine

(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine (PubChem CID 170961562) has the molecular formula C12H14BrClFNO and a molecular weight of 322.61 g/mol. Its IUPAC name is (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine.

Molecular Properties

Compound Name(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine
PubChem CID170961562
Molecular FormulaC12H14BrClFNO
Molecular Weight322.61 g/mol
Exact Mass320.99
IUPAC Name(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine
SMILESC[C@H]1CNCC(Cc2c(F)cc(Cl)cc2Br)O1
InChIInChI=1S/C12H14BrClFNO/c1-7-5-16-6-9(17-7)4-10-11(13)2-8(14)3-12(10)15/h2-3,7,9,16H,4-6H2,1H3/t7-,9?/m0/s1
InChIKeyOADOJFMJMDYBTM-JAVCKPHESA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.61
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine?
The IUPAC name of (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine (CID 170961562) is (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine.
What is the SMILES notation for (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine?
The canonical SMILES for (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine is C[C@H]1CNCC(Cc2c(F)cc(Cl)cc2Br)O1.
What is the InChIKey of (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine?
The InChIKey is OADOJFMJMDYBTM-JAVCKPHESA-N. The full InChI is InChI=1S/C12H14BrClFNO/c1-7-5-16-6-9(17-7)4-10-11(13)2-8(14)3-12(10)15/h2-3,7,9,16H,4-6H2,1H3/t7-,9?/m0/s1.
What are the key properties of (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine?
(6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine has a molecular weight of 322.61 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-[(2-bromo-4-chloro-6-fluorophenyl)methyl]-6-methylmorpholine is sourced from PubChem (CID 170961562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).