(3S)-3-(4-bromo-2-fluorophenyl)morpholine

C10H11BrFNO — CID 130618619

IUPAC(3S)-3-(4-bromo-2-fluorophenyl)morpholine
SMILESFc1cc(Br)ccc1[C@H]1COCCN1
InChIInChI=1S/C10H11BrFNO/c11-7-1-2-8(9(12)5-7)10-6-14-4-3-13-10/h1-2,5,10,13H,3-4,6H2/t10-/m1/s1
InChIKeySTHOHWNIMCIEOS-SNVBAGLBSA-N
MW260.11 g/mol
LogP2.25
Rot. Bonds1

About (3S)-3-(4-bromo-2-fluorophenyl)morpholine

(3S)-3-(4-bromo-2-fluorophenyl)morpholine (PubChem CID 130618619) has the molecular formula C10H11BrFNO and a molecular weight of 260.11 g/mol. Its IUPAC name is (3S)-3-(4-bromo-2-fluorophenyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(4-bromo-2-fluorophenyl)morpholine
PubChem CID130618619
Molecular FormulaC10H11BrFNO
Molecular Weight260.11 g/mol
Exact Mass259.00
IUPAC Name(3S)-3-(4-bromo-2-fluorophenyl)morpholine
SMILESFc1cc(Br)ccc1[C@H]1COCCN1
InChIInChI=1S/C10H11BrFNO/c11-7-1-2-8(9(12)5-7)10-6-14-4-3-13-10/h1-2,5,10,13H,3-4,6H2/t10-/m1/s1
InChIKeySTHOHWNIMCIEOS-SNVBAGLBSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.11
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-morpholin-3-ylphenol
CID 55271299
4-bromo-2-fluoro-6-[(3S)-morpholin-3-yl]phenol
CID 131514862
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
CID 171193150
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
CID 171192624
5-bromo-2-[(3S)-morpholin-3-yl]benzoic acid
CID 131436603
3-(3-bromo-2-fluorophenyl)morpholine
CID 83439764
3-(3-bromophenyl)morpholine;hydrochloride
CID 122156777
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromo-2-fluorophenyl)morpholine?
The IUPAC name of (3S)-3-(4-bromo-2-fluorophenyl)morpholine (CID 130618619) is (3S)-3-(4-bromo-2-fluorophenyl)morpholine.
What is the SMILES notation for (3S)-3-(4-bromo-2-fluorophenyl)morpholine?
The canonical SMILES for (3S)-3-(4-bromo-2-fluorophenyl)morpholine is Fc1cc(Br)ccc1[C@H]1COCCN1.
What is the InChIKey of (3S)-3-(4-bromo-2-fluorophenyl)morpholine?
The InChIKey is STHOHWNIMCIEOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H11BrFNO/c11-7-1-2-8(9(12)5-7)10-6-14-4-3-13-10/h1-2,5,10,13H,3-4,6H2/t10-/m1/s1.
What are the key properties of (3S)-3-(4-bromo-2-fluorophenyl)morpholine?
(3S)-3-(4-bromo-2-fluorophenyl)morpholine has a molecular weight of 260.11 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromo-2-fluorophenyl)morpholine is sourced from PubChem (CID 130618619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).