propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate

C10H16F4O3 — CID 23234668

IUPACpropyl 3,4,4,4-tetrafluoro-2-propoxybutanoate
SMILESCCCOC(=O)C(OCCC)C(F)C(F)(F)F
InChIInChI=1S/C10H16F4O3/c1-3-5-16-7(8(11)10(12,13)14)9(15)17-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyJOMKLYIJVQBRQB-UHFFFAOYSA-N
MW260.23 g/mol
LogP2.64
Rot. Bonds7

About propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate

propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate (PubChem CID 23234668) has the molecular formula C10H16F4O3 and a molecular weight of 260.23 g/mol. Its IUPAC name is propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate.

Molecular Properties

Compound Namepropyl 3,4,4,4-tetrafluoro-2-propoxybutanoate
PubChem CID23234668
Molecular FormulaC10H16F4O3
Molecular Weight260.23 g/mol
Exact Mass260.10
IUPAC Namepropyl 3,4,4,4-tetrafluoro-2-propoxybutanoate
SMILESCCCOC(=O)C(OCCC)C(F)C(F)(F)F
InChIInChI=1S/C10H16F4O3/c1-3-5-16-7(8(11)10(12,13)14)9(15)17-6-4-2/h7-8H,3-6H2,1-2H3
InChIKeyJOMKLYIJVQBRQB-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 3,3,3-trifluoro-2-propoxypropanoate
CID 22913450
dipropyl 2,3-dimethoxybutanedioate
CID 139989452
propyl 2-bromo-2-fluoroacetate
CID 134352619
bis(2-methylpropyl) 2,3-dipropoxybutanedioate
CID 139989269
propyl (2S)-2-chloro-2-propoxyacetate
CID 91377901
[(3R)-2,2,3,4,4,4-hexafluorobutyl] propyl carbonate
CID 99769633
propyl 2-(trifluoromethyl)nonanoate
CID 87943473
propyl 2,4-difluoro-3-oxobutanoate
CID 165358271
propyl (4S)-4-amino-5,5,5-trifluoropentanoate
CID 153321766
dipropyl 2,3-diiodobutanedioate
CID 87640369
dipropoxymethyl 2,2,2-trifluoroacetate
CID 87157146
propyl 2,2-difluorobutanoate
CID 88537819

Frequently Asked Questions

What is the IUPAC name of propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate?
The IUPAC name of propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate (CID 23234668) is propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate.
What is the SMILES notation for propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate?
The canonical SMILES for propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate is CCCOC(=O)C(OCCC)C(F)C(F)(F)F.
What is the InChIKey of propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate?
The InChIKey is JOMKLYIJVQBRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4O3/c1-3-5-16-7(8(11)10(12,13)14)9(15)17-6-4-2/h7-8H,3-6H2,1-2H3.
What are the key properties of propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate?
propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate has a molecular weight of 260.23 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3,4,4,4-tetrafluoro-2-propoxybutanoate is sourced from PubChem (CID 23234668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).