2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane

C15H23F2NO3 — CID 170587481

IUPAC2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
SMILESCC.CC.O=C(O)c1c(F)cc(N2CCOCC2)cc1F
InChIInChI=1S/C11H11F2NO3.2C2H6/c12-8-5-7(14-1-3-17-4-2-14)6-9(13)10(8)11(15)16;2*1-2/h5-6H,1-4H2,(H,15,16);2*1-2H3
InChIKeyIQEOXYIIUYETRV-UHFFFAOYSA-N
MW303.35 g/mol
LogP3.55
Rot. Bonds2

About 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane

2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane (PubChem CID 170587481) has the molecular formula C15H23F2NO3 and a molecular weight of 303.35 g/mol. Its IUPAC name is 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane.

Molecular Properties

Compound Name2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
PubChem CID170587481
Molecular FormulaC15H23F2NO3
Molecular Weight303.35 g/mol
Exact Mass303.16
IUPAC Name2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane
SMILESCC.CC.O=C(O)c1c(F)cc(N2CCOCC2)cc1F
InChIInChI=1S/C11H11F2NO3.2C2H6/c12-8-5-7(14-1-3-17-4-2-14)6-9(13)10(8)11(15)16;2*1-2/h5-6H,1-4H2,(H,15,16);2*1-2H3
InChIKeyIQEOXYIIUYETRV-UHFFFAOYSA-N
XLogP3.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-(2-fluoro-6-methyl-4-morpholin-4-ylphenyl)ethanone
CID 177031956
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
2-fluoro-6-methyl-4-morpholin-4-ylbenzaldehyde
CID 170587273
2,3-dimethyl-5-morpholin-4-ylbenzoic acid
CID 79694761
3-(2-fluoro-4-methylphenyl)-5-morpholin-4-ylbenzoic acid
CID 68733191
3-amino-5-morpholin-4-ylbenzoic acid
CID 67513749
5-morpholin-4-ylbenzene-1,3-diol
CID 58923367
6-amino-N,N-dimethyl-4-morpholin-4-ylpyridine-2-carboxamide;ethane
CID 143049453
2-(2-bromoethoxy)ethyl 2,3-difluoro-5-morpholin-4-ylbenzoate
CID 67112350
3-morpholin-4-yl-5-(trifluoromethoxy)benzoic acid
CID 67454022
2-fluoro-6-methyl-4-[3-(trifluoromethyl)morpholin-4-yl]benzoic acid
CID 146567234
13-(3,5-dimethylphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 10519968

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane?
The IUPAC name of 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane (CID 170587481) is 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane.
What is the SMILES notation for 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane?
The canonical SMILES for 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane is CC.CC.O=C(O)c1c(F)cc(N2CCOCC2)cc1F.
What is the InChIKey of 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane?
The InChIKey is IQEOXYIIUYETRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3.2C2H6/c12-8-5-7(14-1-3-17-4-2-14)6-9(13)10(8)11(15)16;2*1-2/h5-6H,1-4H2,(H,15,16);2*1-2H3.
What are the key properties of 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane?
2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane has a molecular weight of 303.35 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-morpholin-4-ylbenzoic acid;ethane is sourced from PubChem (CID 170587481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).