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

C7H9FO — CID 23237257

IUPAC(1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol
SMILESOC1C2C3C(F)[C@@H]1C[C@@H]23
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-WRDQWOPQSA-N
MW128.15 g/mol
LogP0.58
Rot. Bonds

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

(1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol (PubChem CID 23237257) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol.

Molecular Properties

Compound Name(1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol
PubChem CID23237257
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol
SMILESOC1C2C3C(F)[C@@H]1C[C@@H]23
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-WRDQWOPQSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
The IUPAC name of (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol (CID 23237257) is (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol.
What is the SMILES notation for (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
The canonical SMILES for (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol is OC1C2C3C(F)[C@@H]1C[C@@H]23.
What is the InChIKey of (1S,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
The InChIKey is LSQLHVPNDWZJDC-WRDQWOPQSA-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,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol?
(1S,3R,4R,5S)-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,3R,4R,5S)-5-fluorotricyclo[2.2.1.02,6]heptan-3-ol is sourced from PubChem (CID 23237257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).