7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one

C9H15F2NO2 — CID 158792156

IUPAC7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one
SMILESC=CCCC(=O)C(O)C(N)CC(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-3-4-7(13)9(14)6(12)5-8(10)11/h2,6,8-9,14H,1,3-5,12H2
InChIKeyIMSWECCOYPMXJT-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.87
Rot. Bonds7

About 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one

7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one (PubChem CID 158792156) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one.

Molecular Properties

Compound Name7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one
PubChem CID158792156
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one
SMILESC=CCCC(=O)C(O)C(N)CC(F)F
InChIInChI=1S/C9H15F2NO2/c1-2-3-4-7(13)9(14)6(12)5-8(10)11/h2,6,8-9,14H,1,3-5,12H2
InChIKeyIMSWECCOYPMXJT-UHFFFAOYSA-N
XLogP0.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-amino-3-hydroxyoct-7-en-2-one
CID 148867411
methyl (2R,3S)-3-amino-5,5-difluoro-2-hydroxypentanoate;hydrochloride
CID 87591230
methyl 2-but-3-enyl-3-oxohept-6-enoate
CID 11424355
9-amino-6-methylnon-1-en-5-one
CID 116613429
2,3-dimethyloct-7-en-4-one
CID 114974911
(6S,7R,8E,10E)-6-hydroxy-7-(hydroxymethyl)dodeca-1,8,10-trien-5-one
CID 71494825
3-ethyl-4-hydroxydec-9-en-5-one
CID 103458359
N-[(2R)-2-hydroxypropyl]pent-4-enamide
CID 83031292
3-amino-2-methylnon-8-en-4-one
CID 116549029
benzene;2-but-3-enylpropanedioic acid
CID 174917168
ethyl (3R)-2,3-dihydroxyhept-6-enoate
CID 87766158
hydroxymethyl pent-4-enoate
CID 175918381

Frequently Asked Questions

What is the IUPAC name of 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one?
The IUPAC name of 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one (CID 158792156) is 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one.
What is the SMILES notation for 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one?
The canonical SMILES for 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one is C=CCCC(=O)C(O)C(N)CC(F)F.
What is the InChIKey of 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one?
The InChIKey is IMSWECCOYPMXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-2-3-4-7(13)9(14)6(12)5-8(10)11/h2,6,8-9,14H,1,3-5,12H2.
What are the key properties of 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one?
7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one has a molecular weight of 207.22 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9,9-difluoro-6-hydroxynon-1-en-5-one is sourced from PubChem (CID 158792156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).