5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

C12H15F2N — CID 80604311

IUPAC5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(C(F)F)CCCCc2ccccc21
InChIInChI=1S/C12H15F2N/c13-11(14)12(15)8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7,11H,3-4,6,8,15H2
InChIKeyCYZDTOMOFUCRCC-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.83
Rot. Bonds1

About 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine

5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (PubChem CID 80604311) has the molecular formula C12H15F2N and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
PubChem CID80604311
Molecular FormulaC12H15F2N
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
SMILESNC1(C(F)F)CCCCc2ccccc21
InChIInChI=1S/C12H15F2N/c13-11(14)12(15)8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7,11H,3-4,6,8,15H2
InChIKeyCYZDTOMOFUCRCC-UHFFFAOYSA-N
XLogP2.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The IUPAC name of 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine (CID 80604311) is 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine.
What is the SMILES notation for 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The canonical SMILES for 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is NC1(C(F)F)CCCCc2ccccc21.
What is the InChIKey of 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
The InChIKey is CYZDTOMOFUCRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-11(14)12(15)8-4-3-6-9-5-1-2-7-10(9)12/h1-2,5,7,11H,3-4,6,8,15H2.
What are the key properties of 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine?
5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine has a molecular weight of 211.26 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine is sourced from PubChem (CID 80604311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).