2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one

C14H23F2NO2 — CID 168720305

IUPAC2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one
SMILESC=C(CC(C)(C)C)CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-11(9-13(2,3)4)10-14(15,16)12(18)17-5-7-19-8-6-17/h1,5-10H2,2-4H3
InChIKeyIFPKNKMFEFFVEC-UHFFFAOYSA-N
MW275.34 g/mol
LogP2.86
Rot. Bonds4

About 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one

2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one (PubChem CID 168720305) has the molecular formula C14H23F2NO2 and a molecular weight of 275.34 g/mol. Its IUPAC name is 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one.

Molecular Properties

Compound Name2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one
PubChem CID168720305
Molecular FormulaC14H23F2NO2
Molecular Weight275.34 g/mol
Exact Mass275.17
IUPAC Name2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one
SMILESC=C(CC(C)(C)C)CC(F)(F)C(=O)N1CCOCC1
InChIInChI=1S/C14H23F2NO2/c1-11(9-13(2,3)4)10-14(15,16)12(18)17-5-7-19-8-6-17/h1,5-10H2,2-4H3
InChIKeyIFPKNKMFEFFVEC-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4,4-Difluoro-5-morpholino-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one
CID 168720259
2,2-Difluoro-5-methyl-4-methylene-1-morpholinohexan-1-one
CID 168720300
5-Ethyl-2,2-difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720301
2,2-Difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720303
2,2-Difluoro-6-methyl-4-methylene-1-morpholinoheptan-1-one
CID 168720304
2,2-Difluoro-4-methyl-1-morpholinopent-4-en-1-one
CID 168720309
2,2-Difluoro-3,4-dimethyl-1-morpholinopent-4-en-1-one
CID 168720316
(2-Fluoro-4-methylidenecyclohexyl)-morpholin-4-ylmethanone
CID 91199630
(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one
CID 164675988
6,6-Dimethyl-1-morpholin-4-ylundec-10-en-1-one
CID 145806611

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one?
The IUPAC name of 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one (CID 168720305) is 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one.
What is the SMILES notation for 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one?
The canonical SMILES for 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one is C=C(CC(C)(C)C)CC(F)(F)C(=O)N1CCOCC1.
What is the InChIKey of 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one?
The InChIKey is IFPKNKMFEFFVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO2/c1-11(9-13(2,3)4)10-14(15,16)12(18)17-5-7-19-8-6-17/h1,5-10H2,2-4H3.
What are the key properties of 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one?
2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one has a molecular weight of 275.34 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6,6-dimethyl-4-methylidene-1-morpholin-4-ylheptan-1-one is sourced from PubChem (CID 168720305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).