8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid

C18H29F2NO4 — CID 175486179

IUPAC8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid
SMILESC=C(C)C(CCC(C)CCCC(=O)O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C18H29F2NO4/c1-13(2)15(8-7-14(3)5-4-6-16(22)23)18(19,20)17(24)21-9-11-25-12-10-21/h14-15H,1,4-12H2,2-3H3,(H,22,23)
InChIKeyYGWGQTJTJYTNCK-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.34
Rot. Bonds10

About 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid

8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid (PubChem CID 175486179) has the molecular formula C18H29F2NO4 and a molecular weight of 361.43 g/mol. Its IUPAC name is 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid.

Molecular Properties

Compound Name8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid
PubChem CID175486179
Molecular FormulaC18H29F2NO4
Molecular Weight361.43 g/mol
Exact Mass361.21
IUPAC Name8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid
SMILESC=C(C)C(CCC(C)CCCC(=O)O)C(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C18H29F2NO4/c1-13(2)15(8-7-14(3)5-4-6-16(22)23)18(19,20)17(24)21-9-11-25-12-10-21/h14-15H,1,4-12H2,2-3H3,(H,22,23)
InChIKeyYGWGQTJTJYTNCK-UHFFFAOYSA-N
XLogP3.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid?
The IUPAC name of 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid (CID 175486179) is 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid.
What is the SMILES notation for 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid?
The canonical SMILES for 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid is C=C(C)C(CCC(C)CCCC(=O)O)C(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid?
The InChIKey is YGWGQTJTJYTNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29F2NO4/c1-13(2)15(8-7-14(3)5-4-6-16(22)23)18(19,20)17(24)21-9-11-25-12-10-21/h14-15H,1,4-12H2,2-3H3,(H,22,23).
What are the key properties of 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid?
8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid has a molecular weight of 361.43 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-difluoro-2-morpholin-4-yl-2-oxoethyl)-5,9-dimethyldec-9-enoic acid is sourced from PubChem (CID 175486179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).