cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol

C12H11F5O — CID 115840535

IUPACcyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1c(F)c(F)c(F)c(F)c1F)C1CCCC1
InChIInChI=1S/C12H11F5O/c13-7-6(12(18)5-3-1-2-4-5)8(14)10(16)11(17)9(7)15/h5,12,18H,1-4H2
InChIKeyUYMMFEUXMBREQK-UHFFFAOYSA-N
MW266.21 g/mol
LogP3.61
Rot. Bonds2

About cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol

cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol (PubChem CID 115840535) has the molecular formula C12H11F5O and a molecular weight of 266.21 g/mol. Its IUPAC name is cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol.

Molecular Properties

Compound Namecyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
PubChem CID115840535
Molecular FormulaC12H11F5O
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Namecyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol
SMILESOC(c1c(F)c(F)c(F)c(F)c1F)C1CCCC1
InChIInChI=1S/C12H11F5O/c13-7-6(12(18)5-3-1-2-4-5)8(14)10(16)11(17)9(7)15/h5,12,18H,1-4H2
InChIKeyUYMMFEUXMBREQK-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol?
The IUPAC name of cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol (CID 115840535) is cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol.
What is the SMILES notation for cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol?
The canonical SMILES for cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol is OC(c1c(F)c(F)c(F)c(F)c1F)C1CCCC1.
What is the InChIKey of cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol?
The InChIKey is UYMMFEUXMBREQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5O/c13-7-6(12(18)5-3-1-2-4-5)8(14)10(16)11(17)9(7)15/h5,12,18H,1-4H2.
What are the key properties of cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol?
cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol has a molecular weight of 266.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(2,3,4,5,6-pentafluorophenyl)methanol is sourced from PubChem (CID 115840535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).