2-fluorospiro[3.3]heptan-6-ol

C7H11FO — CID 155820172

IUPAC2-fluorospiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CC(F)C2
InChIInChI=1S/C7H11FO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4H2
InChIKeyLBQYFNCXPUBYHF-UHFFFAOYSA-N
MW130.16 g/mol
LogP1.26
Rot. Bonds

About 2-fluorospiro[3.3]heptan-6-ol

2-fluorospiro[3.3]heptan-6-ol (PubChem CID 155820172) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is 2-fluorospiro[3.3]heptan-6-ol.

Molecular Properties

Compound Name2-fluorospiro[3.3]heptan-6-ol
PubChem CID155820172
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name2-fluorospiro[3.3]heptan-6-ol
SMILESOC1CC2(C1)CC(F)C2
InChIInChI=1S/C7H11FO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4H2
InChIKeyLBQYFNCXPUBYHF-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluorospiro[3.3]heptan-6-ol?
The IUPAC name of 2-fluorospiro[3.3]heptan-6-ol (CID 155820172) is 2-fluorospiro[3.3]heptan-6-ol.
What is the SMILES notation for 2-fluorospiro[3.3]heptan-6-ol?
The canonical SMILES for 2-fluorospiro[3.3]heptan-6-ol is OC1CC2(C1)CC(F)C2.
What is the InChIKey of 2-fluorospiro[3.3]heptan-6-ol?
The InChIKey is LBQYFNCXPUBYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO/c8-5-1-7(2-5)3-6(9)4-7/h5-6,9H,1-4H2.
What are the key properties of 2-fluorospiro[3.3]heptan-6-ol?
2-fluorospiro[3.3]heptan-6-ol has a molecular weight of 130.16 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorospiro[3.3]heptan-6-ol is sourced from PubChem (CID 155820172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).