3-(7-fluoro-1-benzothiophen-2-yl)morpholine

C12H12FNOS — CID 82621222

IUPAC3-(7-fluoro-1-benzothiophen-2-yl)morpholine
SMILESFc1cccc2cc(C3COCCN3)sc12
InChIInChI=1S/C12H12FNOS/c13-9-3-1-2-8-6-11(16-12(8)9)10-7-15-5-4-14-10/h1-3,6,10,14H,4-5,7H2
InChIKeyQLULFDGGROFJEA-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.70
Rot. Bonds1

About 3-(7-fluoro-1-benzothiophen-2-yl)morpholine

3-(7-fluoro-1-benzothiophen-2-yl)morpholine (PubChem CID 82621222) has the molecular formula C12H12FNOS and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-(7-fluoro-1-benzothiophen-2-yl)morpholine.

Molecular Properties

Compound Name3-(7-fluoro-1-benzothiophen-2-yl)morpholine
PubChem CID82621222
Molecular FormulaC12H12FNOS
Molecular Weight237.30 g/mol
Exact Mass237.06
IUPAC Name3-(7-fluoro-1-benzothiophen-2-yl)morpholine
SMILESFc1cccc2cc(C3COCCN3)sc12
InChIInChI=1S/C12H12FNOS/c13-9-3-1-2-8-6-11(16-12(8)9)10-7-15-5-4-14-10/h1-3,6,10,14H,4-5,7H2
InChIKeyQLULFDGGROFJEA-UHFFFAOYSA-N
XLogP2.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-1,3-benzothiazol-2-yl)morpholine
CID 82621536
(3R)-3-(2,3-difluorophenyl)morpholine;hydrochloride
CID 171192608
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
(3S)-3-(2-bromo-3-fluorophenyl)morpholine;hydrochloride
CID 171193150
3-(6-fluoro-2-pyridinyl)morpholine
CID 55282502
(3S)-3-(4-bromo-2-fluorophenyl)morpholine
CID 130618619
3-fluoro-4-morpholin-3-ylphenol
CID 55271299
3-(4-bromo-5-chlorothiophen-2-yl)morpholine
CID 130880379
3-(5-bromo-4-methylthiophen-2-yl)morpholine
CID 130059273
(3S)-3-(2-fluoro-4-methoxyphenyl)morpholine
CID 96776488
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948
(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
CID 130648555

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-benzothiophen-2-yl)morpholine?
The IUPAC name of 3-(7-fluoro-1-benzothiophen-2-yl)morpholine (CID 82621222) is 3-(7-fluoro-1-benzothiophen-2-yl)morpholine.
What is the SMILES notation for 3-(7-fluoro-1-benzothiophen-2-yl)morpholine?
The canonical SMILES for 3-(7-fluoro-1-benzothiophen-2-yl)morpholine is Fc1cccc2cc(C3COCCN3)sc12.
What is the InChIKey of 3-(7-fluoro-1-benzothiophen-2-yl)morpholine?
The InChIKey is QLULFDGGROFJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNOS/c13-9-3-1-2-8-6-11(16-12(8)9)10-7-15-5-4-14-10/h1-3,6,10,14H,4-5,7H2.
What are the key properties of 3-(7-fluoro-1-benzothiophen-2-yl)morpholine?
3-(7-fluoro-1-benzothiophen-2-yl)morpholine has a molecular weight of 237.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-benzothiophen-2-yl)morpholine is sourced from PubChem (CID 82621222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).