(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C17H17F2NS — CID 66755622

IUPAC(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@@H]1CCCc2cc(Sc3cccc(F)c3)cc(F)c21
InChIInChI=1S/C17H17F2NS/c1-20-16-7-2-4-11-8-14(10-15(19)17(11)16)21-13-6-3-5-12(18)9-13/h3,5-6,8-10,16,20H,2,4,7H2,1H3/t16-/m1/s1
InChIKeyVPZLUGXGVVUMPG-MRXNPFEDSA-N
MW305.39 g/mol
LogP4.71
Rot. Bonds3

About (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 66755622) has the molecular formula C17H17F2NS and a molecular weight of 305.39 g/mol. Its IUPAC name is (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID66755622
Molecular FormulaC17H17F2NS
Molecular Weight305.39 g/mol
Exact Mass305.10
IUPAC Name(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN[C@@H]1CCCc2cc(Sc3cccc(F)c3)cc(F)c21
InChIInChI=1S/C17H17F2NS/c1-20-16-7-2-4-11-8-14(10-15(19)17(11)16)21-13-6-3-5-12(18)9-13/h3,5-6,8-10,16,20H,2,4,7H2,1H3/t16-/m1/s1
InChIKeyVPZLUGXGVVUMPG-MRXNPFEDSA-N
XLogP4.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 66755622) is (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is CN[C@@H]1CCCc2cc(Sc3cccc(F)c3)cc(F)c21.
What is the InChIKey of (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is VPZLUGXGVVUMPG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17F2NS/c1-20-16-7-2-4-11-8-14(10-15(19)17(11)16)21-13-6-3-5-12(18)9-13/h3,5-6,8-10,16,20H,2,4,7H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.39 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-8-fluoro-6-(3-fluorophenyl)sulfanyl-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 66755622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).