(5-fluoro-2,4,4-trimethylpentan-2-yl) acetate

C10H19FO2 — CID 146813333

IUPAC(5-fluoro-2,4,4-trimethylpentan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CC(C)(C)CF
InChIInChI=1S/C10H19FO2/c1-8(12)13-10(4,5)6-9(2,3)7-11/h6-7H2,1-5H3
InChIKeySAOYICSTEWXKLR-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.71
Rot. Bonds4

About (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate

(5-fluoro-2,4,4-trimethylpentan-2-yl) acetate (PubChem CID 146813333) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate.

Molecular Properties

Compound Name(5-fluoro-2,4,4-trimethylpentan-2-yl) acetate
PubChem CID146813333
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(5-fluoro-2,4,4-trimethylpentan-2-yl) acetate
SMILESCC(=O)OC(C)(C)CC(C)(C)CF
InChIInChI=1S/C10H19FO2/c1-8(12)13-10(4,5)6-9(2,3)7-11/h6-7H2,1-5H3
InChIKeySAOYICSTEWXKLR-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate?
The IUPAC name of (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate (CID 146813333) is (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate.
What is the SMILES notation for (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate?
The canonical SMILES for (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate is CC(=O)OC(C)(C)CC(C)(C)CF.
What is the InChIKey of (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate?
The InChIKey is SAOYICSTEWXKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-8(12)13-10(4,5)6-9(2,3)7-11/h6-7H2,1-5H3.
What are the key properties of (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate?
(5-fluoro-2,4,4-trimethylpentan-2-yl) acetate has a molecular weight of 190.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4,4-trimethylpentan-2-yl) acetate is sourced from PubChem (CID 146813333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).