ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone

C14H20FNO2 — CID 145081702

IUPACethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
SMILESCC.Cc1ccc(F)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C12H14FNO2.C2H6/c1-9-2-3-11(13)10(8-9)12(15)14-4-6-16-7-5-14;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeyKHANLQXLCHVPAD-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.63
Rot. Bonds1

About ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone

ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 145081702) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Nameethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
PubChem CID145081702
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Nameethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
SMILESCC.Cc1ccc(F)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C12H14FNO2.C2H6/c1-9-2-3-11(13)10(8-9)12(15)14-4-6-16-7-5-14;1-2/h2-3,8H,4-7H2,1H3;1-2H3
InChIKeyKHANLQXLCHVPAD-UHFFFAOYSA-N
XLogP2.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-fluoro-5-methylphenyl)-piperazin-1-ylmethanone
CID 62514775
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
1-[4-(2-hydroxy-5-methylbenzoyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55470896
[4-(2-aminoethyl)piperazin-1-yl]-(2-fluoro-5-methylphenyl)methanone
CID 62515821
(2-fluoro-5-methylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62509275
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835
2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 62516519
ethane;(6-methylnaphthalen-2-yl)-morpholin-4-ylmethanone
CID 143890558
4-(2-fluoro-5-methylbenzoyl)-1-methylpiperazin-2-one
CID 64680512

Frequently Asked Questions

What is the IUPAC name of ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone (CID 145081702) is ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone is CC.Cc1ccc(F)c(C(=O)N2CCOCC2)c1.
What is the InChIKey of ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is KHANLQXLCHVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2.C2H6/c1-9-2-3-11(13)10(8-9)12(15)14-4-6-16-7-5-14;1-2/h2-3,8H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone?
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 253.32 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 145081702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).