1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol

C8H15F3O4 — CID 174872279

IUPAC1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
SMILESCOCC(C)OC(C)=O.OC(F)(F)CF
InChIInChI=1S/C6H12O3.C2H3F3O/c1-5(4-8-3)9-6(2)7;3-1-2(4,5)6/h5H,4H2,1-3H3;6H,1H2
InChIKeyAPENOBNGTCUGHN-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.13
Rot. Bonds4

About 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol

1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol (PubChem CID 174872279) has the molecular formula C8H15F3O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol.

Molecular Properties

Compound Name1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
PubChem CID174872279
Molecular FormulaC8H15F3O4
Molecular Weight232.20 g/mol
Exact Mass232.09
IUPAC Name1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
SMILESCOCC(C)OC(C)=O.OC(F)(F)CF
InChIInChI=1S/C6H12O3.C2H3F3O/c1-5(4-8-3)9-6(2)7;3-1-2(4,5)6/h5H,4H2,1-3H3;6H,1H2
InChIKeyAPENOBNGTCUGHN-UHFFFAOYSA-N
XLogP1.13
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methoxypropan-2-yl acetate;4-methylpentan-2-one
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(1,1,1-trifluoro-3-methoxypropan-2-yl) acetate
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1-(3-methoxypropoxy)propan-2-yl acetate
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1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
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1-methoxypropan-2-yl acetate;pentanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol?
The IUPAC name of 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol (CID 174872279) is 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol.
What is the SMILES notation for 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol?
The canonical SMILES for 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol is COCC(C)OC(C)=O.OC(F)(F)CF.
What is the InChIKey of 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol?
The InChIKey is APENOBNGTCUGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C2H3F3O/c1-5(4-8-3)9-6(2)7;3-1-2(4,5)6/h5H,4H2,1-3H3;6H,1H2.
What are the key properties of 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol?
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol has a molecular weight of 232.20 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol is sourced from PubChem (CID 174872279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).