(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone

C12H14FNO3 — CID 116576254

IUPAC(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2COCCN2)cc1F
InChIInChI=1S/C12H14FNO3/c1-16-11-3-2-8(6-9(11)13)12(15)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyGFTAPTFZLJWDSU-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.01
Rot. Bonds3

About (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone

(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone (PubChem CID 116576254) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
PubChem CID116576254
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone
SMILESCOc1ccc(C(=O)C2COCCN2)cc1F
InChIInChI=1S/C12H14FNO3/c1-16-11-3-2-8(6-9(11)13)12(15)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3
InChIKeyGFTAPTFZLJWDSU-UHFFFAOYSA-N
XLogP1.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 124513193
(3-fluoro-4-methoxyphenyl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 116549741
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(Z)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-3-ylprop-2-en-1-one
CID 45357098
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
N-(3,4-dimethoxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 119673632
(4-methoxy-3-pyridinyl)-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 178103013
1-(4-ethoxy-3-fluorophenyl)-2-morpholin-3-ylethanone
CID 116919897
(3-fluoro-4-methoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572516

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone (CID 116576254) is (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone is COc1ccc(C(=O)C2COCCN2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone?
The InChIKey is GFTAPTFZLJWDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-16-11-3-2-8(6-9(11)13)12(15)10-7-17-5-4-14-10/h2-3,6,10,14H,4-5,7H2,1H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone?
(3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone has a molecular weight of 239.25 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-morpholin-3-ylmethanone is sourced from PubChem (CID 116576254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).