10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene

C11H13FS — CID 90896513

IUPAC10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
SMILESCC1=CS2(=CCC=C2C)=C(F)C=C1
InChIInChI=1S/C11H13FS/c1-9-5-6-11(12)13(8-9)7-3-4-10(13)2/h4-8H,3H2,1-2H3
InChIKeyMHECFAIFKSNVLR-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.47
Rot. Bonds

About 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene

10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene (PubChem CID 90896513) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene.

Molecular Properties

Compound Name10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
PubChem CID90896513
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene
SMILESCC1=CS2(=CCC=C2C)=C(F)C=C1
InChIInChI=1S/C11H13FS/c1-9-5-6-11(12)13(8-9)7-3-4-10(13)2/h4-8H,3H2,1-2H3
InChIKeyMHECFAIFKSNVLR-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene 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

6-fluoro-3-methyl-5-methylidene-6H-1-benzothiophene
CID 89233565
5-ethyl-2-fluoro-1-[(Z)-hex-4-en-3-ylidene]-1-methylthiopyran
CID 91181752
13-Fluoro-5-thiatricyclo[8.4.0.02,6]tetradeca-1,3,6,8,10,13-hexaene
CID 91527849
(3E)-6-fluoro-3-methylhepta-3,5-dienethial
CID 123390603
5-Fluoro-6-methyl-3a,4-dihydro-1-benzothiophene
CID 123954887
2-fluoro-5-[(1E,3Z)-4-methylsulfanylpenta-1,3-dienyl]cyclohepta-1,3,5-triene
CID 132198726
3-Fluoro-4-(propylsulfanylmethyl)cyclohepta-1,3,5-triene
CID 139457690
(3Z)-4-methyl-3-[(2E)-3-(trifluoromethyl)penta-2,4-dienylidene]thiophene
CID 142164344
6-fluoro-5-methyl-2H-thiopyran
CID 143781863
(2Z)-2-[(2Z)-2-ethylidene-1-fluoropentylidene]-3-methylidenethiophene
CID 145140712
(3Z)-2-(fluoromethylsulfanyl)-5-methylhexa-1,3,5-triene
CID 145628249
1-Fluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 153601051

Frequently Asked Questions

What is the IUPAC name of 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene?
The IUPAC name of 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene (CID 90896513) is 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene.
What is the SMILES notation for 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene?
The canonical SMILES for 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene is CC1=CS2(=CCC=C2C)=C(F)C=C1.
What is the InChIKey of 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene?
The InChIKey is MHECFAIFKSNVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FS/c1-9-5-6-11(12)13(8-9)7-3-4-10(13)2/h4-8H,3H2,1-2H3.
What are the key properties of 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene?
10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene has a molecular weight of 196.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-4,7-dimethyl-5λ6-thiaspiro[4.5]deca-1(5),3,5(10),6,8-pentaene is sourced from PubChem (CID 90896513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).