(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate

C11H8F4O2 — CID 145241996

IUPAC(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate
SMILESO=C(Oc1c(F)cc(F)c(F)c1F)C1CCC1
InChIInChI=1S/C11H8F4O2/c12-6-4-7(13)10(9(15)8(6)14)17-11(16)5-2-1-3-5/h4-5H,1-3H2
InChIKeyUBBGUZPVMRUKLG-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.95
Rot. Bonds2

About (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate

(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate (PubChem CID 145241996) has the molecular formula C11H8F4O2 and a molecular weight of 248.17 g/mol. Its IUPAC name is (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate.

Molecular Properties

Compound Name(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate
PubChem CID145241996
Molecular FormulaC11H8F4O2
Molecular Weight248.17 g/mol
Exact Mass248.05
IUPAC Name(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate
SMILESO=C(Oc1c(F)cc(F)c(F)c1F)C1CCC1
InChIInChI=1S/C11H8F4O2/c12-6-4-7(13)10(9(15)8(6)14)17-11(16)5-2-1-3-5/h4-5H,1-3H2
InChIKeyUBBGUZPVMRUKLG-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,3,4,5,6-pentafluorophenyl) 3-fluorocyclohexane-1-carboxylate
CID 22123765
(2,4,6-trichlorophenyl) cyclobutanecarboxylate
CID 55335063
(2,6-difluorophenyl) cyclopropanecarboxylate
CID 175366528
(2,4,6-trichlorophenyl) cyclopentanecarboxylate
CID 55335085
(2,4,6-trifluorophenyl) 1-oxidopiperidine-4-carboxylate
CID 175870915
(2,3,5,6-tetrafluorophenyl) 4-cyclodecyl-4-oxobutanoate
CID 154972317
(2,6-ditert-butyl-4-methylphenyl) cyclopentanecarboxylate
CID 15190815
(2,4-dichloro-6-formylphenyl) cyclopentanecarboxylate
CID 91694976
3-amino-N-(2,3,5,6-tetrafluorophenyl)cyclohexane-1-carboxamide
CID 107641644
9-azabicyclo[3.3.1]nonan-3-yl-(2,3,5,6-tetrafluorophenyl)methanone
CID 171941147
(2,6-ditert-butyl-4-methylphenyl) cyclohexanecarboxylate
CID 11809687
cis-(2,3,4,5,6-pentafluorophenyl) (1R,2S)-2-aminocyclopentane-1-carboxylate
CID 87764987

Frequently Asked Questions

What is the IUPAC name of (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate?
The IUPAC name of (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate (CID 145241996) is (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate.
What is the SMILES notation for (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate?
The canonical SMILES for (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate is O=C(Oc1c(F)cc(F)c(F)c1F)C1CCC1.
What is the InChIKey of (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate?
The InChIKey is UBBGUZPVMRUKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4O2/c12-6-4-7(13)10(9(15)8(6)14)17-11(16)5-2-1-3-5/h4-5H,1-3H2.
What are the key properties of (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate?
(2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate has a molecular weight of 248.17 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,6-tetrafluorophenyl) cyclobutanecarboxylate is sourced from PubChem (CID 145241996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).