8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine

C15H19F2N — CID 71419565

IUPAC8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine
SMILESCN(c1ccccc1)C12CCCCCC1C2(F)F
InChIInChI=1S/C15H19F2N/c1-18(12-8-4-2-5-9-12)14-11-7-3-6-10-13(14)15(14,16)17/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyVMGKCMPAKWMWQW-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.09
Rot. Bonds2

About 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine

8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine (PubChem CID 71419565) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine.

Molecular Properties

Compound Name8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine
PubChem CID71419565
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine
SMILESCN(c1ccccc1)C12CCCCCC1C2(F)F
InChIInChI=1S/C15H19F2N/c1-18(12-8-4-2-5-9-12)14-11-7-3-6-10-13(14)15(14,16)17/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3
InChIKeyVMGKCMPAKWMWQW-UHFFFAOYSA-N
XLogP4.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine?
The IUPAC name of 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine (CID 71419565) is 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine.
What is the SMILES notation for 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine?
The canonical SMILES for 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine is CN(c1ccccc1)C12CCCCCC1C2(F)F.
What is the InChIKey of 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine?
The InChIKey is VMGKCMPAKWMWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c1-18(12-8-4-2-5-9-12)14-11-7-3-6-10-13(14)15(14,16)17/h2,4-5,8-9,13H,3,6-7,10-11H2,1H3.
What are the key properties of 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine?
8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine has a molecular weight of 251.32 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-N-methyl-N-phenylbicyclo[5.1.0]octan-1-amine is sourced from PubChem (CID 71419565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).