6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde

C14H10F4O2 — CID 10779540

IUPAC6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(OCC(F)(F)C(F)F)ccc2c1
InChIInChI=1S/C14H10F4O2/c15-13(16)14(17,18)8-20-12-4-3-10-5-9(7-19)1-2-11(10)6-12/h1-7,13H,8H2
InChIKeyLVMQRJZOGXSXTJ-UHFFFAOYSA-N
MW286.22 g/mol
LogP3.93
Rot. Bonds5

About 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde

6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde (PubChem CID 10779540) has the molecular formula C14H10F4O2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
PubChem CID10779540
Molecular FormulaC14H10F4O2
Molecular Weight286.22 g/mol
Exact Mass286.06
IUPAC Name6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(OCC(F)(F)C(F)F)ccc2c1
InChIInChI=1S/C14H10F4O2/c15-13(16)14(17,18)8-20-12-4-3-10-5-9(7-19)1-2-11(10)6-12/h1-7,13H,8H2
InChIKeyLVMQRJZOGXSXTJ-UHFFFAOYSA-N
XLogP3.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde?
The IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde (CID 10779540) is 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde is O=Cc1ccc2cc(OCC(F)(F)C(F)F)ccc2c1.
What is the InChIKey of 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde?
The InChIKey is LVMQRJZOGXSXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O2/c15-13(16)14(17,18)8-20-12-4-3-10-5-9(7-19)1-2-11(10)6-12/h1-7,13H,8H2.
What are the key properties of 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde?
6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde has a molecular weight of 286.22 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde is sourced from PubChem (CID 10779540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).