1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one

C17H24FNO2 — CID 136526058

IUPAC1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)N1CCOC(c2cccc(F)c2)C1)C(C)(C)C
InChIInChI=1S/C17H24FNO2/c1-12(17(2,3)4)16(20)19-8-9-21-15(11-19)13-6-5-7-14(18)10-13/h5-7,10,12,15H,8-9,11H2,1-4H3
InChIKeyCVLUORGMGJJIFC-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.41
Rot. Bonds2

About 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one

1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one (PubChem CID 136526058) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
PubChem CID136526058
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one
SMILESCC(C(=O)N1CCOC(c2cccc(F)c2)C1)C(C)(C)C
InChIInChI=1S/C17H24FNO2/c1-12(17(2,3)4)16(20)19-8-9-21-15(11-19)13-6-5-7-14(18)10-13/h5-7,10,12,15H,8-9,11H2,1-4H3
InChIKeyCVLUORGMGJJIFC-UHFFFAOYSA-N
XLogP3.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-fluorophenyl)morpholin-4-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 136511968
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one;hydrochloride
CID 119770437
1-[2-(3-fluorophenyl)morpholin-4-yl]-2-hydroxy-2-phenylethanone
CID 111432690
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120668206
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120988772
4-[2-(3-fluorophenyl)morpholine-4-carbonyl]benzoic acid
CID 119183981
2-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120791793
3-amino-1-[2-(3-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315907
(1-aminocyclopropyl)-[2-(3-fluorophenyl)morpholin-4-yl]methanone;hydrochloride
CID 119770397
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
1-chloroethenyl (2S)-2-(3-fluorophenyl)morpholine-4-carboxylate
CID 174559637
2-(cyclopropylmethylamino)-1-[2-(3-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119770425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one?
The IUPAC name of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one (CID 136526058) is 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one is CC(C(=O)N1CCOC(c2cccc(F)c2)C1)C(C)(C)C.
What is the InChIKey of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one?
The InChIKey is CVLUORGMGJJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12(17(2,3)4)16(20)19-8-9-21-15(11-19)13-6-5-7-14(18)10-13/h5-7,10,12,15H,8-9,11H2,1-4H3.
What are the key properties of 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one?
1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one has a molecular weight of 293.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)morpholin-4-yl]-2,3,3-trimethylbutan-1-one is sourced from PubChem (CID 136526058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).