(7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

C10H17FOS — CID 115023694

IUPAC(7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(F)CC2CSCC(C1)C2CO
InChIInChI=1S/C10H17FOS/c1-10(11)2-7-5-13-6-8(3-10)9(7)4-12/h7-9,12H,2-6H2,1H3
InChIKeyOSEVONXFLLDMAG-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.10
Rot. Bonds1

About (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115023694) has the molecular formula C10H17FOS and a molecular weight of 204.31 g/mol. Its IUPAC name is (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115023694
Molecular FormulaC10H17FOS
Molecular Weight204.31 g/mol
Exact Mass204.10
IUPAC Name(7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(F)CC2CSCC(C1)C2CO
InChIInChI=1S/C10H17FOS/c1-10(11)2-7-5-13-6-8(3-10)9(7)4-12/h7-9,12H,2-6H2,1H3
InChIKeyOSEVONXFLLDMAG-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Fluoro-4-methoxy-4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 169924406
4-Fluoro-4-[2-hydroxy-1-(thian-4-yl)ethyl]-1-methylcyclohexan-1-ol
CID 170105776
(7,7-Difluoro-3-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115025866
(7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115041494
1-(3,4-Dimethylcyclohexyl)-2-propylsulfanylethanol
CID 65130075
1-(3,4-Dimethylcyclohexyl)-2-ethylsulfanylethanol
CID 65131100
1-(3,4-Dimethylcyclohexyl)-2-propan-2-ylsulfanylethanol
CID 65131868
2-Tert-butylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
CID 65132930
1-(3,4-Dimethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135503
2-Butan-2-ylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
CID 65136531
2-Cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
CID 65139493
(3,4-Dimethylcyclohexyl)-(1,4-dithian-2-yl)methanol
CID 79971921

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115023694) is (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol is CC1(F)CC2CSCC(C1)C2CO.
What is the InChIKey of (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is OSEVONXFLLDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FOS/c1-10(11)2-7-5-13-6-8(3-10)9(7)4-12/h7-9,12H,2-6H2,1H3.
What are the key properties of (7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7-fluoro-7-methyl-3-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 204.31 g/mol, XLogP of 2.10, 1 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-yl)methanol is sourced from PubChem (CID 115023694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).