1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate

C10H13F5O2 — CID 91694800

IUPAC1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC(OC(=O)C(F)(F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H13F5O2/c1-6(7-4-2-3-5-7)17-8(16)9(11,12)10(13,14)15/h6-7H,2-5H2,1H3
InChIKeyNKBFBFFWZRSBDZ-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.31
Rot. Bonds3

About 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate

1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91694800) has the molecular formula C10H13F5O2 and a molecular weight of 260.20 g/mol. Its IUPAC name is 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91694800
Molecular FormulaC10H13F5O2
Molecular Weight260.20 g/mol
Exact Mass260.08
IUPAC Name1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCC(OC(=O)C(F)(F)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H13F5O2/c1-6(7-4-2-3-5-7)17-8(16)9(11,12)10(13,14)15/h6-7H,2-5H2,1H3
InChIKeyNKBFBFFWZRSBDZ-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.31
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 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate (CID 91694800) is 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate is CC(OC(=O)C(F)(F)C(F)(F)F)C1CCCC1.
What is the InChIKey of 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is NKBFBFFWZRSBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O2/c1-6(7-4-2-3-5-7)17-8(16)9(11,12)10(13,14)15/h6-7H,2-5H2,1H3.
What are the key properties of 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate?
1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 260.20 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91694800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).