(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

C10H11ClFN — CID 131122901

IUPAC(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c1ccc(F)c2Cl
InChIInChI=1S/C10H11ClFN/c11-10-7-2-1-3-9(13)6(7)4-5-8(10)12/h4-5,9H,1-3,13H2/t9-/m0/s1
InChIKeyOPCAPLPULMBNLM-VIFPVBQESA-N
MW199.66 g/mol
LogP2.82
Rot. Bonds

About (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine

(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 131122901) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID131122901
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESN[C@H]1CCCc2c1ccc(F)c2Cl
InChIInChI=1S/C10H11ClFN/c11-10-7-2-1-3-9(13)6(7)4-5-8(10)12/h4-5,9H,1-3,13H2/t9-/m0/s1
InChIKeyOPCAPLPULMBNLM-VIFPVBQESA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine (CID 131122901) is (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine is N[C@H]1CCCc2c1ccc(F)c2Cl.
What is the InChIKey of (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is OPCAPLPULMBNLM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClFN/c11-10-7-2-1-3-9(13)6(7)4-5-8(10)12/h4-5,9H,1-3,13H2/t9-/m0/s1.
What are the key properties of (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine?
(1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 199.66 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-chloro-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 131122901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).