1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine

C10H10F3NO — CID 177220268

IUPAC1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(OC(F)F)CCc2cc(F)ccc21
InChIInChI=1S/C10H10F3NO/c11-7-1-2-8-6(5-7)3-4-10(8,14)15-9(12)13/h1-2,5,9H,3-4,14H2
InChIKeyPMTZGHYBGORLBS-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.12
Rot. Bonds2

About 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine

1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine (PubChem CID 177220268) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine
PubChem CID177220268
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine
SMILESNC1(OC(F)F)CCc2cc(F)ccc21
InChIInChI=1S/C10H10F3NO/c11-7-1-2-8-6(5-7)3-4-10(8,14)15-9(12)13/h1-2,5,9H,3-4,14H2
InChIKeyPMTZGHYBGORLBS-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine?
The IUPAC name of 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine (CID 177220268) is 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine.
What is the SMILES notation for 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine?
The canonical SMILES for 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine is NC1(OC(F)F)CCc2cc(F)ccc21.
What is the InChIKey of 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine?
The InChIKey is PMTZGHYBGORLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-7-1-2-8-6(5-7)3-4-10(8,14)15-9(12)13/h1-2,5,9H,3-4,14H2.
What are the key properties of 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine?
1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine has a molecular weight of 217.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-5-fluoro-2,3-dihydroinden-1-amine is sourced from PubChem (CID 177220268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).