2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate

C14H10F4O2 — CID 2132308

IUPAC2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate
SMILESO=C(OCC(F)(F)C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H10F4O2/c15-13(16)14(17,18)8-20-12(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2
InChIKeyZFLHLFQVMIDBLW-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.90
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate

2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate (PubChem CID 2132308) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate
PubChem CID2132308
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate
SMILESO=C(OCC(F)(F)C(F)F)c1ccc2ccccc2c1
InChIInChI=1S/C14H10F4O2/c15-13(16)14(17,18)8-20-12(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2
InChIKeyZFLHLFQVMIDBLW-UHFFFAOYSA-N
XLogP3.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate (CID 2132308) is 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate is O=C(OCC(F)(F)C(F)F)c1ccc2ccccc2c1.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate?
The InChIKey is ZFLHLFQVMIDBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c15-13(16)14(17,18)8-20-12(19)11-6-5-9-3-1-2-4-10(9)7-11/h1-7,13H,8H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate?
2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate has a molecular weight of 286.22 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl naphthalene-2-carboxylate is sourced from PubChem (CID 2132308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).