2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

C10H9F11O3 — CID 15269880

IUPAC2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESCC(C)COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11O3/c1-4(2)3-23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3
InChIKeyFOVHLTOENOSCBW-UHFFFAOYSA-N
MW386.16 g/mol
LogP4.22
Rot. Bonds6

About 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (PubChem CID 15269880) has the molecular formula C10H9F11O3 and a molecular weight of 386.16 g/mol. Its IUPAC name is 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

Molecular Properties

Compound Name2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
PubChem CID15269880
Molecular FormulaC10H9F11O3
Molecular Weight386.16 g/mol
Exact Mass386.04
IUPAC Name2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
SMILESCC(C)COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F11O3/c1-4(2)3-23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3
InChIKeyFOVHLTOENOSCBW-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
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

Ethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 2782595
Propan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 10177266
Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 12751209
Butyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15038809
Propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938552
Butan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 10120121
Butan-2-yl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 10134714
3,3-Dimethylbutan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 13638520
Propyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15038808
Pentyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15269881
3-Methylbutyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 15269882
Propan-2-yl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938553

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The IUPAC name of 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (CID 15269880) is 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.
What is the SMILES notation for 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The canonical SMILES for 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is CC(C)COC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
The InChIKey is FOVHLTOENOSCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F11O3/c1-4(2)3-23-5(22)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h4H,3H2,1-2H3.
What are the key properties of 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?
2-methylpropyl 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 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is sourced from PubChem (CID 15269880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).