(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine

C12H15BrFNO — CID 155576990

IUPAC(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine
SMILESFCC1CN[C@@H](Cc2ccc(Br)cc2)CO1
InChIInChI=1S/C12H15BrFNO/c13-10-3-1-9(2-4-10)5-11-8-16-12(6-14)7-15-11/h1-4,11-12,15H,5-8H2/t11-,12?/m0/s1
InChIKeyBZLQGZJZLKZAGJ-PXYINDEMSA-N
MW288.16 g/mol
LogP2.32
Rot. Bonds3

About (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine

(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine (PubChem CID 155576990) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine.

Molecular Properties

Compound Name(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine
PubChem CID155576990
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine
SMILESFCC1CN[C@@H](Cc2ccc(Br)cc2)CO1
InChIInChI=1S/C12H15BrFNO/c13-10-3-1-9(2-4-10)5-11-8-16-12(6-14)7-15-11/h1-4,11-12,15H,5-8H2/t11-,12?/m0/s1
InChIKeyBZLQGZJZLKZAGJ-PXYINDEMSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine?
The IUPAC name of (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine (CID 155576990) is (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine.
What is the SMILES notation for (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine?
The canonical SMILES for (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine is FCC1CN[C@@H](Cc2ccc(Br)cc2)CO1.
What is the InChIKey of (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine?
The InChIKey is BZLQGZJZLKZAGJ-PXYINDEMSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-10-3-1-9(2-4-10)5-11-8-16-12(6-14)7-15-11/h1-4,11-12,15H,5-8H2/t11-,12?/m0/s1.
What are the key properties of (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine?
(5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine has a molecular weight of 288.16 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-bromophenyl)methyl]-2-(fluoromethyl)morpholine is sourced from PubChem (CID 155576990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).