2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol

C11H19FO2 — CID 122240288

IUPAC2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol
SMILESOCC(F)(CO)CC1CC2(CCC2)C1
InChIInChI=1S/C11H19FO2/c12-11(7-13,8-14)6-9-4-10(5-9)2-1-3-10/h9,13-14H,1-8H2
InChIKeyFJSOVNVYQJKHRF-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.65
Rot. Bonds4

About 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol

2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol (PubChem CID 122240288) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol
PubChem CID122240288
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol
SMILESOCC(F)(CO)CC1CC2(CCC2)C1
InChIInChI=1S/C11H19FO2/c12-11(7-13,8-14)6-9-4-10(5-9)2-1-3-10/h9,13-14H,1-8H2
InChIKeyFJSOVNVYQJKHRF-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol 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 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol?
The IUPAC name of 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol (CID 122240288) is 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol?
The canonical SMILES for 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol is OCC(F)(CO)CC1CC2(CCC2)C1.
What is the InChIKey of 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol?
The InChIKey is FJSOVNVYQJKHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c12-11(7-13,8-14)6-9-4-10(5-9)2-1-3-10/h9,13-14H,1-8H2.
What are the key properties of 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol?
2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol has a molecular weight of 202.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(spiro[3.3]heptan-2-ylmethyl)propane-1,3-diol is sourced from PubChem (CID 122240288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).