1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate

C7H10F4O3 — CID 88537567

IUPAC1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
SMILESCOCC(C)OC(=O)C(F)C(F)(F)F
InChIInChI=1S/C7H10F4O3/c1-4(3-13-2)14-6(12)5(8)7(9,10)11/h4-5H,3H2,1-2H3
InChIKeyKKJMXQVFLAFTHM-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.46
Rot. Bonds4

About 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate

1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate (PubChem CID 88537567) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
PubChem CID88537567
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Name1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate
SMILESCOCC(C)OC(=O)C(F)C(F)(F)F
InChIInChI=1S/C7H10F4O3/c1-4(3-13-2)14-6(12)5(8)7(9,10)11/h4-5H,3H2,1-2H3
InChIKeyKKJMXQVFLAFTHM-UHFFFAOYSA-N
XLogP1.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927421
1-methoxypropan-2-yl acetate;1,1,2-trifluoroethanol
CID 174872279
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
CID 107837627
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
1-methoxypropan-2-yl 2-ethoxypropanoate
CID 88537715
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
2-O,3-O-bis(1-methoxypropan-2-yl) 1-O,4-O-dimethyl butane-1,2,3,4-tetracarboxylate
CID 58177628
bis(1-methoxypropan-2-yl) (E)-but-2-enedioate
CID 19782902
2-fluoroethyl 2,3,3,3-tetrafluoropropanoate
CID 134247673
1-methoxypropan-2-yl (Z)-2,5-diaminohex-3-enoate
CID 154468834
1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451059

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate (CID 88537567) is 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate is COCC(C)OC(=O)C(F)C(F)(F)F.
What is the InChIKey of 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate?
The InChIKey is KKJMXQVFLAFTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c1-4(3-13-2)14-6(12)5(8)7(9,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate?
1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate has a molecular weight of 218.15 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 88537567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).