3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol

C13H24F2O2 — CID 129228269

IUPAC3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol
SMILESCCCCC(F)(F)C(O)CCC1CCC(O)C1
InChIInChI=1S/C13H24F2O2/c1-2-3-8-13(14,15)12(17)7-5-10-4-6-11(16)9-10/h10-12,16-17H,2-9H2,1H3
InChIKeyNIPLWGZEXPOVMN-UHFFFAOYSA-N
MW250.33 g/mol
LogP3.11
Rot. Bonds7

About 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol

3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol (PubChem CID 129228269) has the molecular formula C13H24F2O2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol
PubChem CID129228269
Molecular FormulaC13H24F2O2
Molecular Weight250.33 g/mol
Exact Mass250.17
IUPAC Name3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol
SMILESCCCCC(F)(F)C(O)CCC1CCC(O)C1
InChIInChI=1S/C13H24F2O2/c1-2-3-8-13(14,15)12(17)7-5-10-4-6-11(16)9-10/h10-12,16-17H,2-9H2,1H3
InChIKeyNIPLWGZEXPOVMN-UHFFFAOYSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol?
The IUPAC name of 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol (CID 129228269) is 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol.
What is the SMILES notation for 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol?
The canonical SMILES for 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol is CCCCC(F)(F)C(O)CCC1CCC(O)C1.
What is the InChIKey of 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol?
The InChIKey is NIPLWGZEXPOVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O2/c1-2-3-8-13(14,15)12(17)7-5-10-4-6-11(16)9-10/h10-12,16-17H,2-9H2,1H3.
What are the key properties of 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol?
3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol has a molecular weight of 250.33 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoro-3-hydroxyoctyl)cyclopentan-1-ol is sourced from PubChem (CID 129228269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).