[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate

C10H16F2O3 — CID 145163009

IUPAC[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
SMILESCC(=O)OCC(F)(F)C[C@H]1CCCCO1
InChIInChI=1S/C10H16F2O3/c1-8(13)15-7-10(11,12)6-9-4-2-3-5-14-9/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyMAACOBZLBSSKQG-SECBINFHSA-N
MW222.23 g/mol
LogP2.14
Rot. Bonds4

About [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate

[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate (PubChem CID 145163009) has the molecular formula C10H16F2O3 and a molecular weight of 222.23 g/mol. Its IUPAC name is [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate.

Molecular Properties

Compound Name[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
PubChem CID145163009
Molecular FormulaC10H16F2O3
Molecular Weight222.23 g/mol
Exact Mass222.11
IUPAC Name[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate
SMILESCC(=O)OCC(F)(F)C[C@H]1CCCCO1
InChIInChI=1S/C10H16F2O3/c1-8(13)15-7-10(11,12)6-9-4-2-3-5-14-9/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyMAACOBZLBSSKQG-SECBINFHSA-N
XLogP2.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxan-2-yl)pentyl acetate
CID 66871710
oxan-2-ylmethyl 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79799046
ethyl 2-(oxepan-2-yl)acetate
CID 14174537
ethyl 2,2-difluoro-2-(oxan-2-ylmethoxy)acetate
CID 66455223
3-fluoro-4-(oxan-2-yl)butan-2-one
CID 105435805
(2S)-2-(fluoromethyl)oxane
CID 126712338
oxan-2-ylmethyl 3-aminobut-2-enoate
CID 67941955
N-[4-amino-1-(oxolan-2-yl)-2-(oxolan-2-ylmethyl)butan-2-yl]-2-methylprop-2-enamide
CID 174696433
N-[3,3-difluoro-4-[(2S)-oxan-2-yl]butan-2-yl]formamide
CID 154947097
ethyl 2-(oxan-2-ylmethyl)-3-oxobutanoate
CID 15304158
2-(oxolan-2-yl)ethanol;propan-2-one
CID 70356947
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate?
The IUPAC name of [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate (CID 145163009) is [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate.
What is the SMILES notation for [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate?
The canonical SMILES for [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate is CC(=O)OCC(F)(F)C[C@H]1CCCCO1.
What is the InChIKey of [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate?
The InChIKey is MAACOBZLBSSKQG-SECBINFHSA-N. The full InChI is InChI=1S/C10H16F2O3/c1-8(13)15-7-10(11,12)6-9-4-2-3-5-14-9/h9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate?
[2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate has a molecular weight of 222.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-difluoro-3-[(2R)-oxan-2-yl]propyl] acetate is sourced from PubChem (CID 145163009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).