5,5-difluoro-5-pyridin-2-ylpentan-1-ol

C10H13F2NO — CID 134969379

IUPAC5,5-difluoro-5-pyridin-2-ylpentan-1-ol
SMILESOCCCCC(F)(F)c1ccccn1
InChIInChI=1S/C10H13F2NO/c11-10(12,6-2-4-8-14)9-5-1-3-7-13-9/h1,3,5,7,14H,2,4,6,8H2
InChIKeyXVDXKSQIALKRAW-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.34
Rot. Bonds5

About 5,5-difluoro-5-pyridin-2-ylpentan-1-ol

5,5-difluoro-5-pyridin-2-ylpentan-1-ol (PubChem CID 134969379) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 5,5-difluoro-5-pyridin-2-ylpentan-1-ol.

Molecular Properties

Compound Name5,5-difluoro-5-pyridin-2-ylpentan-1-ol
PubChem CID134969379
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name5,5-difluoro-5-pyridin-2-ylpentan-1-ol
SMILESOCCCCC(F)(F)c1ccccn1
InChIInChI=1S/C10H13F2NO/c11-10(12,6-2-4-8-14)9-5-1-3-7-13-9/h1,3,5,7,14H,2,4,6,8H2
InChIKeyXVDXKSQIALKRAW-UHFFFAOYSA-N
XLogP2.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-5-pyridin-2-ylpentan-1-ol?
The IUPAC name of 5,5-difluoro-5-pyridin-2-ylpentan-1-ol (CID 134969379) is 5,5-difluoro-5-pyridin-2-ylpentan-1-ol.
What is the SMILES notation for 5,5-difluoro-5-pyridin-2-ylpentan-1-ol?
The canonical SMILES for 5,5-difluoro-5-pyridin-2-ylpentan-1-ol is OCCCCC(F)(F)c1ccccn1.
What is the InChIKey of 5,5-difluoro-5-pyridin-2-ylpentan-1-ol?
The InChIKey is XVDXKSQIALKRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12,6-2-4-8-14)9-5-1-3-7-13-9/h1,3,5,7,14H,2,4,6,8H2.
What are the key properties of 5,5-difluoro-5-pyridin-2-ylpentan-1-ol?
5,5-difluoro-5-pyridin-2-ylpentan-1-ol has a molecular weight of 201.22 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-5-pyridin-2-ylpentan-1-ol is sourced from PubChem (CID 134969379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).