4-fluoro-2,7-dimethyloctan-3-one

C10H19FO — CID 176842695

IUPAC4-fluoro-2,7-dimethyloctan-3-one
SMILESCC(C)CCC(F)C(=O)C(C)C
InChIInChI=1S/C10H19FO/c1-7(2)5-6-9(11)10(12)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyGPBVHQUHGRHVAA-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.99
Rot. Bonds5

About 4-fluoro-2,7-dimethyloctan-3-one

4-fluoro-2,7-dimethyloctan-3-one (PubChem CID 176842695) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-fluoro-2,7-dimethyloctan-3-one.

Molecular Properties

Compound Name4-fluoro-2,7-dimethyloctan-3-one
PubChem CID176842695
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name4-fluoro-2,7-dimethyloctan-3-one
SMILESCC(C)CCC(F)C(=O)C(C)C
InChIInChI=1S/C10H19FO/c1-7(2)5-6-9(11)10(12)8(3)4/h7-9H,5-6H2,1-4H3
InChIKeyGPBVHQUHGRHVAA-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-ethyl-2,9-dimethyldecan-3-one
CID 164954852
2-amino-N,5-dimethylhexanamide
CID 116850475
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
2-hydroxy-4,7-dimethyloctan-3-one
CID 90857215
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
1,1-difluoro-5-methylhexan-2-amine
CID 103759774
4,7-dimethyloctanamide
CID 16638041
2,6,6-trifluoro-5-methylhexanoic acid
CID 142641839
7-amino-2,4-dimethylheptan-3-one
CID 116613359

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,7-dimethyloctan-3-one?
The IUPAC name of 4-fluoro-2,7-dimethyloctan-3-one (CID 176842695) is 4-fluoro-2,7-dimethyloctan-3-one.
What is the SMILES notation for 4-fluoro-2,7-dimethyloctan-3-one?
The canonical SMILES for 4-fluoro-2,7-dimethyloctan-3-one is CC(C)CCC(F)C(=O)C(C)C.
What is the InChIKey of 4-fluoro-2,7-dimethyloctan-3-one?
The InChIKey is GPBVHQUHGRHVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-7(2)5-6-9(11)10(12)8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-2,7-dimethyloctan-3-one?
4-fluoro-2,7-dimethyloctan-3-one has a molecular weight of 174.26 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,7-dimethyloctan-3-one is sourced from PubChem (CID 176842695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).