1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane

C9H15FO — CID 176865823

IUPAC1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
SMILESCC(C)C12COCC(F)(C1)C2
InChIInChI=1S/C9H15FO/c1-7(2)8-3-9(10,4-8)6-11-5-8/h7H,3-6H2,1-2H3
InChIKeyUCXBVAGLNDJEOJ-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.16
Rot. Bonds1

About 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane

1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane (PubChem CID 176865823) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
PubChem CID176865823
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane
SMILESCC(C)C12COCC(F)(C1)C2
InChIInChI=1S/C9H15FO/c1-7(2)8-3-9(10,4-8)6-11-5-8/h7H,3-6H2,1-2H3
InChIKeyUCXBVAGLNDJEOJ-UHFFFAOYSA-N
XLogP2.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane 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 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The IUPAC name of 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane (CID 176865823) is 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane.
What is the SMILES notation for 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The canonical SMILES for 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane is CC(C)C12COCC(F)(C1)C2.
What is the InChIKey of 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
The InChIKey is UCXBVAGLNDJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO/c1-7(2)8-3-9(10,4-8)6-11-5-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane?
1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane has a molecular weight of 158.22 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-propan-2-yl-3-oxabicyclo[3.1.1]heptane is sourced from PubChem (CID 176865823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).