7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol

C9H15FOS — CID 115018305

IUPAC7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1(F)CC2CSCC(C1)C2O
InChIInChI=1S/C9H15FOS/c1-9(10)2-6-4-12-5-7(3-9)8(6)11/h6-8,11H,2-5H2,1H3
InChIKeyDSOBVCZCRXMIHE-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.85
Rot. Bonds

About 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol

7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol (PubChem CID 115018305) has the molecular formula C9H15FOS and a molecular weight of 190.28 g/mol. Its IUPAC name is 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
PubChem CID115018305
Molecular FormulaC9H15FOS
Molecular Weight190.28 g/mol
Exact Mass190.08
IUPAC Name7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1(F)CC2CSCC(C1)C2O
InChIInChI=1S/C9H15FOS/c1-9(10)2-6-4-12-5-7(3-9)8(6)11/h6-8,11H,2-5H2,1H3
InChIKeyDSOBVCZCRXMIHE-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol with MolForge

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

Launch Full Analysis

Related Compounds

7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-ol
CID 115019816
7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115033318
2,6-Dimethyl-4-(methylsulfanylmethyl)cyclohexan-1-ol
CID 18739538
3-Thiabicyclo[3.3.1]nonan-9-ol
CID 91308315
2,6-Dimethyl-4-(thian-1-ium-1-yl)cyclohexan-1-ol
CID 145785634
(2R)-4-(ethylsulfanylmethyl)-2,6-dimethylcyclohexan-1-ol
CID 166463900
(3-Methylcyclohexyl)-(thian-2-yl)methanol
CID 80621362
(3,5-Dimethylcyclohexyl)-(thian-2-yl)methanol
CID 80622345
(3-Ethylcyclohexyl)-(thian-2-yl)methanol
CID 80622566
1-(3,5-Dimethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102794
1-(3-Methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104218
1-(3-Ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol (CID 115018305) is 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol is CC1(F)CC2CSCC(C1)C2O.
What is the InChIKey of 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
The InChIKey is DSOBVCZCRXMIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FOS/c1-9(10)2-6-4-12-5-7(3-9)8(6)11/h6-8,11H,2-5H2,1H3.
What are the key properties of 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol?
7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol has a molecular weight of 190.28 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 115018305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).