1-cyclopentyl-4,4-difluorooctan-3-ol

C13H24F2O — CID 129228131

IUPAC1-cyclopentyl-4,4-difluorooctan-3-ol
SMILESCCCCC(F)(F)C(O)CCC1CCCC1
InChIInChI=1S/C13H24F2O/c1-2-3-10-13(14,15)12(16)9-8-11-6-4-5-7-11/h11-12,16H,2-10H2,1H3
InChIKeyMZZBPCABTXPSKM-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.14
Rot. Bonds7

About 1-cyclopentyl-4,4-difluorooctan-3-ol

1-cyclopentyl-4,4-difluorooctan-3-ol (PubChem CID 129228131) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-cyclopentyl-4,4-difluorooctan-3-ol.

Molecular Properties

Compound Name1-cyclopentyl-4,4-difluorooctan-3-ol
PubChem CID129228131
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name1-cyclopentyl-4,4-difluorooctan-3-ol
SMILESCCCCC(F)(F)C(O)CCC1CCCC1
InChIInChI=1S/C13H24F2O/c1-2-3-10-13(14,15)12(16)9-8-11-6-4-5-7-11/h11-12,16H,2-10H2,1H3
InChIKeyMZZBPCABTXPSKM-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4,4-difluorooctan-3-ol?
The IUPAC name of 1-cyclopentyl-4,4-difluorooctan-3-ol (CID 129228131) is 1-cyclopentyl-4,4-difluorooctan-3-ol.
What is the SMILES notation for 1-cyclopentyl-4,4-difluorooctan-3-ol?
The canonical SMILES for 1-cyclopentyl-4,4-difluorooctan-3-ol is CCCCC(F)(F)C(O)CCC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4,4-difluorooctan-3-ol?
The InChIKey is MZZBPCABTXPSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-2-3-10-13(14,15)12(16)9-8-11-6-4-5-7-11/h11-12,16H,2-10H2,1H3.
What are the key properties of 1-cyclopentyl-4,4-difluorooctan-3-ol?
1-cyclopentyl-4,4-difluorooctan-3-ol has a molecular weight of 234.33 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4,4-difluorooctan-3-ol is sourced from PubChem (CID 129228131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).