4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine

C11H13F2NO — CID 83854976

IUPAC4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(F)(F)CCC2N
InChIInChI=1S/C11H13F2NO/c1-15-7-2-3-8-9(6-7)11(12,13)5-4-10(8)14/h2-3,6,10H,4-5,14H2,1H3
InChIKeyCAURXGOVKVWGPH-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.58
Rot. Bonds1

About 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine

4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine (PubChem CID 83854976) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine.

Molecular Properties

Compound Name4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine
PubChem CID83854976
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine
SMILESCOc1ccc2c(c1)C(F)(F)CCC2N
InChIInChI=1S/C11H13F2NO/c1-15-7-2-3-8-9(6-7)11(12,13)5-4-10(8)14/h2-3,6,10H,4-5,14H2,1H3
InChIKeyCAURXGOVKVWGPH-UHFFFAOYSA-N
XLogP2.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine?
The IUPAC name of 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine (CID 83854976) is 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine.
What is the SMILES notation for 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine?
The canonical SMILES for 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine is COc1ccc2c(c1)C(F)(F)CCC2N.
What is the InChIKey of 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine?
The InChIKey is CAURXGOVKVWGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-7-2-3-8-9(6-7)11(12,13)5-4-10(8)14/h2-3,6,10H,4-5,14H2,1H3.
What are the key properties of 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine?
4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine has a molecular weight of 213.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6-methoxy-2,3-dihydro-1H-naphthalen-1-amine is sourced from PubChem (CID 83854976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).