2-fluoro-2-methyldecan-3-one

C11H21FO — CID 14645302

IUPAC2-fluoro-2-methyldecan-3-one
SMILESCCCCCCCC(=O)C(C)(C)F
InChIInChI=1S/C11H21FO/c1-4-5-6-7-8-9-10(13)11(2,3)12/h4-9H2,1-3H3
InChIKeyUNVLMZWYZQDHQK-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.66
Rot. Bonds7

About 2-fluoro-2-methyldecan-3-one

2-fluoro-2-methyldecan-3-one (PubChem CID 14645302) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-fluoro-2-methyldecan-3-one.

Molecular Properties

Compound Name2-fluoro-2-methyldecan-3-one
PubChem CID14645302
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-fluoro-2-methyldecan-3-one
SMILESCCCCCCCC(=O)C(C)(C)F
InChIInChI=1S/C11H21FO/c1-4-5-6-7-8-9-10(13)11(2,3)12/h4-9H2,1-3H3
InChIKeyUNVLMZWYZQDHQK-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1,1,1-trifluoro-2-methylpentadecan-3-one
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2-amino-2-methylpentadecan-3-one
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2-amino-2-methyloctadecan-3-one
CID 175961283
5,5-dimethyltridecan-6-one
CID 19931387
2,2-dimethyloctadecan-3-one;hexadecanoic acid
CID 159228095
3-amino-3-methylhexadecan-4-one
CID 116590430
2,2-dimethyl-3-oxoundecanamide
CID 139713201
3-ethyl-3-hydroxydecan-4-one
CID 103446891
15-hydroxy-15-(hydroxymethyl)nonacosane-14,16-dione
CID 87574450
11-octanoyl-11-tridecyltricosane-10,12-dione
CID 141100179
2-fluoropropan-2-yl hexadecanoate
CID 175252629

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyldecan-3-one?
The IUPAC name of 2-fluoro-2-methyldecan-3-one (CID 14645302) is 2-fluoro-2-methyldecan-3-one.
What is the SMILES notation for 2-fluoro-2-methyldecan-3-one?
The canonical SMILES for 2-fluoro-2-methyldecan-3-one is CCCCCCCC(=O)C(C)(C)F.
What is the InChIKey of 2-fluoro-2-methyldecan-3-one?
The InChIKey is UNVLMZWYZQDHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-4-5-6-7-8-9-10(13)11(2,3)12/h4-9H2,1-3H3.
What are the key properties of 2-fluoro-2-methyldecan-3-one?
2-fluoro-2-methyldecan-3-one has a molecular weight of 188.29 g/mol, XLogP of 3.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyldecan-3-one is sourced from PubChem (CID 14645302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).