(1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol

C7H9FO — CID 11073440

IUPAC(1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol
SMILESO[C@H]1[C@H]2C[C@@H]3[C@@H]([C@@H]2F)[C@@H]13
InChIInChI=1S/C7H9FO/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7,9H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1
InChIKeyLSQLHVPNDWZJDC-BIWMIDHDSA-N
MW128.15 g/mol
LogP0.58
Rot. Bonds

About (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol

(1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol (PubChem CID 11073440) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol.

Molecular Properties

Compound Name(1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol
PubChem CID11073440
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol
SMILESO[C@H]1[C@H]2C[C@@H]3[C@@H]([C@@H]2F)[C@@H]13
InChIInChI=1S/C7H9FO/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7,9H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1
InChIKeyLSQLHVPNDWZJDC-BIWMIDHDSA-N
XLogP0.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
The IUPAC name of (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol (CID 11073440) is (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol.
What is the SMILES notation for (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
The canonical SMILES for (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol is O[C@H]1[C@H]2C[C@@H]3[C@@H]([C@@H]2F)[C@@H]13.
What is the InChIKey of (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
The InChIKey is LSQLHVPNDWZJDC-BIWMIDHDSA-N. The full InChI is InChI=1S/C7H9FO/c8-6-3-1-2-4(6)5(2)7(3)9/h2-7,9H,1H2/t2-,3+,4-,5+,6-,7+/m1/s1.
What are the key properties of (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
(1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol has a molecular weight of 128.15 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R,5S,6R)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol is sourced from PubChem (CID 11073440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).