(3-fluoro-2-methylbutan-2-yl) acetate

C7H13FO2 — CID 153406673

IUPAC(3-fluoro-2-methylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(C)C(C)F
InChIInChI=1S/C7H13FO2/c1-5(8)7(3,4)10-6(2)9/h5H,1-4H3
InChIKeyLIUPZOLFICXSJX-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.69
Rot. Bonds2

About (3-fluoro-2-methylbutan-2-yl) acetate

(3-fluoro-2-methylbutan-2-yl) acetate (PubChem CID 153406673) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (3-fluoro-2-methylbutan-2-yl) acetate.

Molecular Properties

Compound Name(3-fluoro-2-methylbutan-2-yl) acetate
PubChem CID153406673
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(3-fluoro-2-methylbutan-2-yl) acetate
SMILESCC(=O)OC(C)(C)C(C)F
InChIInChI=1S/C7H13FO2/c1-5(8)7(3,4)10-6(2)9/h5H,1-4H3
InChIKeyLIUPZOLFICXSJX-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl acetate;2,2-difluoropropane;2-methylpropane
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azane;2,3,4-trimethylpentan-3-yl acetate
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(2-amino-3-methylbutan-2-yl) acetate
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tert-butyl acetate
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(3-amino-2-methylpentan-2-yl) acetate
CID 174797073
sodium tert-butyl acetate
CID 22391906
tert-butyl acetate;iron
CID 174907269
1,1,2,2,2-pentaacetyloxyethyl acetate
CID 71773968
tert-butyl acetate;1,1,1,3,3,3-hexafluoropropan-2-ol
CID 157252983
tert-butyl 2-fluoropropanoate
CID 91554233
CID 87138094
CID 87138094
2-(2-acetyloxypropan-2-yloxy)propan-2-yl acetate
CID 142775471

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methylbutan-2-yl) acetate?
The IUPAC name of (3-fluoro-2-methylbutan-2-yl) acetate (CID 153406673) is (3-fluoro-2-methylbutan-2-yl) acetate.
What is the SMILES notation for (3-fluoro-2-methylbutan-2-yl) acetate?
The canonical SMILES for (3-fluoro-2-methylbutan-2-yl) acetate is CC(=O)OC(C)(C)C(C)F.
What is the InChIKey of (3-fluoro-2-methylbutan-2-yl) acetate?
The InChIKey is LIUPZOLFICXSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(8)7(3,4)10-6(2)9/h5H,1-4H3.
What are the key properties of (3-fluoro-2-methylbutan-2-yl) acetate?
(3-fluoro-2-methylbutan-2-yl) acetate has a molecular weight of 148.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methylbutan-2-yl) acetate is sourced from PubChem (CID 153406673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).