(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

C11H13FIN — CID 130706080

IUPAC(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1c(F)cc2c(c1I)[C@H](N)CCC2
InChIInChI=1S/C11H13FIN/c1-6-8(12)5-7-3-2-4-9(14)10(7)11(6)13/h5,9H,2-4,14H2,1H3/t9-/m1/s1
InChIKeyMXWUOOLVWAJINR-SECBINFHSA-N
MW305.13 g/mol
LogP3.07
Rot. Bonds

About (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 130706080) has the molecular formula C11H13FIN and a molecular weight of 305.13 g/mol. Its IUPAC name is (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID130706080
Molecular FormulaC11H13FIN
Molecular Weight305.13 g/mol
Exact Mass305.01
IUPAC Name(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1c(F)cc2c(c1I)[C@H](N)CCC2
InChIInChI=1S/C11H13FIN/c1-6-8(12)5-7-3-2-4-9(14)10(7)11(6)13/h5,9H,2-4,14H2,1H3/t9-/m1/s1
InChIKeyMXWUOOLVWAJINR-SECBINFHSA-N
XLogP3.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 130706080) is (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1c(F)cc2c(c1I)[C@H](N)CCC2.
What is the InChIKey of (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is MXWUOOLVWAJINR-SECBINFHSA-N. The full InChI is InChI=1S/C11H13FIN/c1-6-8(12)5-7-3-2-4-9(14)10(7)11(6)13/h5,9H,2-4,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine?
(1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 305.13 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-8-iodo-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 130706080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).