(1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine

C12H18FNS — CID 126560327

IUPAC(1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(C)(C)c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C12H18FNS/c1-15(2,3)11-7-5-9(13)12-8(11)4-6-10(12)14/h5,7,10H,4,6,14H2,1-3H3/t10-/m1/s1
InChIKeyWFVRVGSPUSCWKK-SNVBAGLBSA-N
MW227.35 g/mol
LogP2.82
Rot. Bonds1

About (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine

(1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 126560327) has the molecular formula C12H18FNS and a molecular weight of 227.35 g/mol. Its IUPAC name is (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine
PubChem CID126560327
Molecular FormulaC12H18FNS
Molecular Weight227.35 g/mol
Exact Mass227.11
IUPAC Name(1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine
SMILESCS(C)(C)c1ccc(F)c2c1CC[C@H]2N
InChIInChI=1S/C12H18FNS/c1-15(2,3)11-7-5-9(13)12-8(11)4-6-10(12)14/h5,7,10H,4,6,14H2,1-3H3/t10-/m1/s1
InChIKeyWFVRVGSPUSCWKK-SNVBAGLBSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine (CID 126560327) is (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine is CS(C)(C)c1ccc(F)c2c1CC[C@H]2N.
What is the InChIKey of (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WFVRVGSPUSCWKK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNS/c1-15(2,3)11-7-5-9(13)12-8(11)4-6-10(12)14/h5,7,10H,4,6,14H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine?
(1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-fluoro-4-(trimethyl-λ4-sulfanyl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126560327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).