1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol

C12H17FO2 — CID 71220608

IUPAC1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol
SMILESCCC(O)C1CCC2=CC(F)=CCC2O1
InChIInChI=1S/C12H17FO2/c1-2-10(14)12-5-3-8-7-9(13)4-6-11(8)15-12/h4,7,10-12,14H,2-3,5-6H2,1H3
InChIKeyZGZLTZXXPXZXID-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.49
Rot. Bonds2

About 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol

1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol (PubChem CID 71220608) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol
PubChem CID71220608
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol
SMILESCCC(O)C1CCC2=CC(F)=CCC2O1
InChIInChI=1S/C12H17FO2/c1-2-10(14)12-5-3-8-7-9(13)4-6-11(8)15-12/h4,7,10-12,14H,2-3,5-6H2,1H3
InChIKeyZGZLTZXXPXZXID-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-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 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol?
The IUPAC name of 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol (CID 71220608) is 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol.
What is the SMILES notation for 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol?
The canonical SMILES for 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol is CCC(O)C1CCC2=CC(F)=CCC2O1.
What is the InChIKey of 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol?
The InChIKey is ZGZLTZXXPXZXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-2-10(14)12-5-3-8-7-9(13)4-6-11(8)15-12/h4,7,10-12,14H,2-3,5-6H2,1H3.
What are the key properties of 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol?
1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol has a molecular weight of 212.26 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3,4,8,8a-tetrahydro-2H-chromen-2-yl)propan-1-ol is sourced from PubChem (CID 71220608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).