2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one

C11H21FO2 — CID 130457075

IUPAC2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one
SMILESCCCC(C)C(=O)C(C)(C)OCCF
InChIInChI=1S/C11H21FO2/c1-5-6-9(2)10(13)11(3,4)14-8-7-12/h9H,5-8H2,1-4H3
InChIKeyNFXXSZLKFVRTET-UHFFFAOYSA-N
MW204.28 g/mol
LogP2.76
Rot. Bonds7

About 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one

2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one (PubChem CID 130457075) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one
PubChem CID130457075
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one
SMILESCCCC(C)C(=O)C(C)(C)OCCF
InChIInChI=1S/C11H21FO2/c1-5-6-9(2)10(13)11(3,4)14-8-7-12/h9H,5-8H2,1-4H3
InChIKeyNFXXSZLKFVRTET-UHFFFAOYSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one?
The IUPAC name of 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one (CID 130457075) is 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one.
What is the SMILES notation for 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one?
The canonical SMILES for 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one is CCCC(C)C(=O)C(C)(C)OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one?
The InChIKey is NFXXSZLKFVRTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO2/c1-5-6-9(2)10(13)11(3,4)14-8-7-12/h9H,5-8H2,1-4H3.
What are the key properties of 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one?
2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one has a molecular weight of 204.28 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-2,4-dimethylheptan-3-one is sourced from PubChem (CID 130457075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).