6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine

C9H9F2NO — CID 175133586

IUPAC6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine
SMILESNC1OCCc2cc(F)cc(F)c21
InChIInChI=1S/C9H9F2NO/c10-6-3-5-1-2-13-9(12)8(5)7(11)4-6/h3-4,9H,1-2,12H2
InChIKeyMAUFXRVGSVDRCL-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.49
Rot. Bonds

About 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine

6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine (PubChem CID 175133586) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine.

Molecular Properties

Compound Name6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine
PubChem CID175133586
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine
SMILESNC1OCCc2cc(F)cc(F)c21
InChIInChI=1S/C9H9F2NO/c10-6-3-5-1-2-13-9(12)8(5)7(11)4-6/h3-4,9H,1-2,12H2
InChIKeyMAUFXRVGSVDRCL-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine?
The IUPAC name of 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine (CID 175133586) is 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine.
What is the SMILES notation for 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine?
The canonical SMILES for 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine is NC1OCCc2cc(F)cc(F)c21.
What is the InChIKey of 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine?
The InChIKey is MAUFXRVGSVDRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-6-3-5-1-2-13-9(12)8(5)7(11)4-6/h3-4,9H,1-2,12H2.
What are the key properties of 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine?
6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine has a molecular weight of 185.17 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,4-dihydro-1H-isochromen-1-amine is sourced from PubChem (CID 175133586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).