(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene

C10H11FS — CID 14113346

IUPAC(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene
SMILESCS[C@@H]1Cc2ccccc2[C@H]1F
InChIInChI=1S/C10H11FS/c1-12-9-6-7-4-2-3-5-8(7)10(9)11/h2-5,9-10H,6H2,1H3/t9-,10-/m1/s1
InChIKeyPNOREBIKWSYZLT-NXEZZACHSA-N
MW182.26 g/mol
LogP2.98
Rot. Bonds1

About (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene

(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene (PubChem CID 14113346) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene
PubChem CID14113346
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene
SMILESCS[C@@H]1Cc2ccccc2[C@H]1F
InChIInChI=1S/C10H11FS/c1-12-9-6-7-4-2-3-5-8(7)10(9)11/h2-5,9-10H,6H2,1H3/t9-,10-/m1/s1
InChIKeyPNOREBIKWSYZLT-NXEZZACHSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene 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

1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 67549579
(2S)-1-fluoro-2,3-dihydro-1H-inden-2-amine
CID 143629667
carbon monoxide;chromium;(1R,2R)-1-fluoro-2-methyl-2,3-dihydro-1H-indene
CID 11087375
2-propan-2-ylsulfanyl-2,3-dihydro-1H-inden-1-amine
CID 64633837
1-(18F)fluoro-N-methyl-N-prop-2-ynyl-2,3-dihydro-1H-inden-2-amine
CID 53472250
2-(2-chlorophenyl)sulfanyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64619137
3-fluoro-1,2-dimethyl-3,4-dihydro-1H-isoquinoline
CID 91043961
1,2,3-trifluoro-3,4-dihydro-1H-isoquinoline
CID 57181107
(1R,2R)-2-ethyl-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130469930
2-(2-methylpropylsulfanyl)-2,3-dihydro-1H-inden-1-amine
CID 64612132
(1S,2S)-2-chloro-1-fluoro-1,2,3,4-tetrahydronaphthalene
CID 130981221
9-chloro-2-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 154149942

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene (CID 14113346) is (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene is CS[C@@H]1Cc2ccccc2[C@H]1F.
What is the InChIKey of (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene?
The InChIKey is PNOREBIKWSYZLT-NXEZZACHSA-N. The full InChI is InChI=1S/C10H11FS/c1-12-9-6-7-4-2-3-5-8(7)10(9)11/h2-5,9-10H,6H2,1H3/t9-,10-/m1/s1.
What are the key properties of (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene?
(1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene has a molecular weight of 182.26 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-fluoro-2-methylsulfanyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 14113346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).