1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol

C12H21F5O2 — CID 123907725

IUPAC1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol
SMILESCC(O)C1CCCC1.CC(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H14O.C5H7F5O/c1-6(8)7-4-2-3-5-7;1-3(11)2-4(6,7)5(8,9)10/h6-8H,2-5H2,1H3;3,11H,2H2,1H3
InChIKeyGKXIUINJVMONOH-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.51
Rot. Bonds3

About 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol

1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol (PubChem CID 123907725) has the molecular formula C12H21F5O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol.

Molecular Properties

Compound Name1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol
PubChem CID123907725
Molecular FormulaC12H21F5O2
Molecular Weight292.29 g/mol
Exact Mass292.15
IUPAC Name1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol
SMILESCC(O)C1CCCC1.CC(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C7H14O.C5H7F5O/c1-6(8)7-4-2-3-5-7;1-3(11)2-4(6,7)5(8,9)10/h6-8H,2-5H2,1H3;3,11H,2H2,1H3
InChIKeyGKXIUINJVMONOH-UHFFFAOYSA-N
XLogP3.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.51
H-Bond Donors ≤ 52
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-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol?
The IUPAC name of 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol (CID 123907725) is 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol.
What is the SMILES notation for 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol?
The canonical SMILES for 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol is CC(O)C1CCCC1.CC(O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol?
The InChIKey is GKXIUINJVMONOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C5H7F5O/c1-6(8)7-4-2-3-5-7;1-3(11)2-4(6,7)5(8,9)10/h6-8H,2-5H2,1H3;3,11H,2H2,1H3.
What are the key properties of 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol?
1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol has a molecular weight of 292.29 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethanol;4,4,5,5,5-pentafluoropentan-2-ol is sourced from PubChem (CID 123907725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).