2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate

C10H14F4O2 — CID 87423303

IUPAC2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate
SMILESO=C(OCC(F)(F)C(F)F)C1CCCCC1
InChIInChI=1S/C10H14F4O2/c11-9(12)10(13,14)6-16-8(15)7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyQNAHLOMYZSKUJJ-UHFFFAOYSA-N
MW242.21 g/mol
LogP3.01
Rot. Bonds4

About 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate

2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate (PubChem CID 87423303) has the molecular formula C10H14F4O2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate
PubChem CID87423303
Molecular FormulaC10H14F4O2
Molecular Weight242.21 g/mol
Exact Mass242.09
IUPAC Name2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate
SMILESO=C(OCC(F)(F)C(F)F)C1CCCCC1
InChIInChI=1S/C10H14F4O2/c11-9(12)10(13,14)6-16-8(15)7-4-2-1-3-5-7/h7,9H,1-6H2
InChIKeyQNAHLOMYZSKUJJ-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 53.01
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 cyclohexanecarboxylate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate (CID 87423303) is 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate is O=C(OCC(F)(F)C(F)F)C1CCCCC1.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate?
The InChIKey is QNAHLOMYZSKUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O2/c11-9(12)10(13,14)6-16-8(15)7-4-2-1-3-5-7/h7,9H,1-6H2.
What are the key properties of 2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate?
2,2,3,3-tetrafluoropropyl cyclohexanecarboxylate has a molecular weight of 242.21 g/mol, XLogP of 3.01, 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 cyclohexanecarboxylate is sourced from PubChem (CID 87423303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).