(2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine

C11H15F2NO — CID 158740209

IUPAC(2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine
SMILESCOC1=CC(F)(F)[C@H]2CC[C@@H](N)CC2=C1
InChIInChI=1S/C11H15F2NO/c1-15-9-5-7-4-8(14)2-3-10(7)11(12,13)6-9/h5-6,8,10H,2-4,14H2,1H3/t8-,10+/m1/s1
InChIKeyPHTFCTHYKMLFEJ-SCZZXKLOSA-N
MW215.24 g/mol
LogP2.22
Rot. Bonds1

About (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine

(2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine (PubChem CID 158740209) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name(2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine
PubChem CID158740209
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine
SMILESCOC1=CC(F)(F)[C@H]2CC[C@@H](N)CC2=C1
InChIInChI=1S/C11H15F2NO/c1-15-9-5-7-4-8(14)2-3-10(7)11(12,13)6-9/h5-6,8,10H,2-4,14H2,1H3/t8-,10+/m1/s1
InChIKeyPHTFCTHYKMLFEJ-SCZZXKLOSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine?
The IUPAC name of (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine (CID 158740209) is (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine.
What is the SMILES notation for (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine?
The canonical SMILES for (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine is COC1=CC(F)(F)[C@H]2CC[C@@H](N)CC2=C1.
What is the InChIKey of (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine?
The InChIKey is PHTFCTHYKMLFEJ-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-15-9-5-7-4-8(14)2-3-10(7)11(12,13)6-9/h5-6,8,10H,2-4,14H2,1H3/t8-,10+/m1/s1.
What are the key properties of (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine?
(2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aS)-5,5-difluoro-7-methoxy-2,3,4,4a-tetrahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 158740209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).