2,7-difluoro-3,4-dihydrofluoren-9-imine

C13H9F2N — CID 70307599

IUPAC2,7-difluoro-3,4-dihydrofluoren-9-imine
SMILES[H]/N=C1/C2=C(CCC(F)=C2)c2ccc(F)cc21
InChIInChI=1S/C13H9F2N/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1,3,5-6,16H,2,4H2/b16-13+
InChIKeyUWWGKXDUYADKAC-DTQAZKPQSA-N
MW217.22 g/mol
LogP3.61
Rot. Bonds

About 2,7-difluoro-3,4-dihydrofluoren-9-imine

2,7-difluoro-3,4-dihydrofluoren-9-imine (PubChem CID 70307599) has the molecular formula C13H9F2N and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,7-difluoro-3,4-dihydrofluoren-9-imine.

Molecular Properties

Compound Name2,7-difluoro-3,4-dihydrofluoren-9-imine
PubChem CID70307599
Molecular FormulaC13H9F2N
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2,7-difluoro-3,4-dihydrofluoren-9-imine
SMILES[H]/N=C1/C2=C(CCC(F)=C2)c2ccc(F)cc21
InChIInChI=1S/C13H9F2N/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1,3,5-6,16H,2,4H2/b16-13+
InChIKeyUWWGKXDUYADKAC-DTQAZKPQSA-N
XLogP3.61
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-3,4-dihydrofluoren-9-imine?
The IUPAC name of 2,7-difluoro-3,4-dihydrofluoren-9-imine (CID 70307599) is 2,7-difluoro-3,4-dihydrofluoren-9-imine.
What is the SMILES notation for 2,7-difluoro-3,4-dihydrofluoren-9-imine?
The canonical SMILES for 2,7-difluoro-3,4-dihydrofluoren-9-imine is [H]/N=C1/C2=C(CCC(F)=C2)c2ccc(F)cc21.
What is the InChIKey of 2,7-difluoro-3,4-dihydrofluoren-9-imine?
The InChIKey is UWWGKXDUYADKAC-DTQAZKPQSA-N. The full InChI is InChI=1S/C13H9F2N/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1,3,5-6,16H,2,4H2/b16-13+.
What are the key properties of 2,7-difluoro-3,4-dihydrofluoren-9-imine?
2,7-difluoro-3,4-dihydrofluoren-9-imine has a molecular weight of 217.22 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-3,4-dihydrofluoren-9-imine is sourced from PubChem (CID 70307599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).