2,2-difluorospiro[3.3]heptan-6-ol

C7H10F2O — CID 146082075

IUPAC2,2-difluorospiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H10F2O/c8-7(9)3-6(4-7)1-5(10)2-6/h5,10H,1-4H2
InChIKeyLARCYNYLLSYYSB-UHFFFAOYSA-N
MW148.15 g/mol
LogP1.56
Rot. Bonds

About 2,2-difluorospiro[3.3]heptan-6-ol

2,2-difluorospiro[3.3]heptan-6-ol (PubChem CID 146082075) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 2,2-difluorospiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2,2-difluorospiro[3.3]heptan-6-ol
PubChem CID146082075
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name2,2-difluorospiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CC(F)(F)C2
InChIInChI=1S/C7H10F2O/c8-7(9)3-6(4-7)1-5(10)2-6/h5,10H,1-4H2
InChIKeyLARCYNYLLSYYSB-UHFFFAOYSA-N
XLogP1.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorospiro[3.3]heptan-6-ol?
The IUPAC name of 2,2-difluorospiro[3.3]heptan-6-ol (CID 146082075) is 2,2-difluorospiro[3.3]heptan-6-ol.
What is the SMILES notation for 2,2-difluorospiro[3.3]heptan-6-ol?
The canonical SMILES for 2,2-difluorospiro[3.3]heptan-6-ol is OC1CC2(C1)CC(F)(F)C2.
What is the InChIKey of 2,2-difluorospiro[3.3]heptan-6-ol?
The InChIKey is LARCYNYLLSYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c8-7(9)3-6(4-7)1-5(10)2-6/h5,10H,1-4H2.
What are the key properties of 2,2-difluorospiro[3.3]heptan-6-ol?
2,2-difluorospiro[3.3]heptan-6-ol has a molecular weight of 148.15 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorospiro[3.3]heptan-6-ol is sourced from PubChem (CID 146082075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).