[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

C10H9F11O3 — CID 162813297

IUPAC[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESCC[C@@H](C)OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11O3/c1-3-4(2)23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3/t4-,6-/m1/s1
InChIKeyUJKLXHUBMDNJOB-INEUFUBQSA-N
MW386.16 g/mol
LogP4.36
Rot. Bonds6

About [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (PubChem CID 162813297) has the molecular formula C10H9F11O3 and a molecular weight of 386.16 g/mol. Its IUPAC name is [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

Molecular Properties

Compound Name[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
PubChem CID162813297
Molecular FormulaC10H9F11O3
Molecular Weight386.16 g/mol
Exact Mass386.04
IUPAC Name[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESCC[C@@H](C)OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11O3/c1-3-4(2)23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3/t4-,6-/m1/s1
InChIKeyUJKLXHUBMDNJOB-INEUFUBQSA-N
XLogP4.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

butan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 10134714
[(2R)-butan-2-yl] (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162813300
3,3-dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 71673102
propan-2-yl (2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 162802420
propan-2-yl (2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 162802421
[(2R)-3,3-dimethylbutan-2-yl] (2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 162812992
3-methylbutyl (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 163073084
butan-2-yl 2-bromo-2,2-difluoroacetate
CID 87123357
2,2,2-trifluoroethyl (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162982682
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoic acid;hydrochloride
CID 88623980
hexyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 15269883
(2S)-N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 162881836

Frequently Asked Questions

What is the IUPAC name of [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The IUPAC name of [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (CID 162813297) is [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.
What is the SMILES notation for [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The canonical SMILES for [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is CC[C@@H](C)OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The InChIKey is UJKLXHUBMDNJOB-INEUFUBQSA-N. The full InChI is InChI=1S/C10H9F11O3/c1-3-4(2)23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3/t4-,6-/m1/s1.
What are the key properties of [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
[(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate has a molecular weight of 386.16 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-butan-2-yl] (2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is sourced from PubChem (CID 162813297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).