7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine

C15H13F2N — CID 64984280

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
SMILESNC(c1c(F)cccc1F)C1Cc2ccccc21
InChIInChI=1S/C15H13F2N/c16-12-6-3-7-13(17)14(12)15(18)11-8-9-4-1-2-5-10(9)11/h1-7,11,15H,8,18H2
InChIKeyGZDLQZHMLLRGRH-UHFFFAOYSA-N
MW245.27 g/mol
LogP3.30
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine (PubChem CID 64984280) has the molecular formula C15H13F2N and a molecular weight of 245.27 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
PubChem CID64984280
Molecular FormulaC15H13F2N
Molecular Weight245.27 g/mol
Exact Mass245.10
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine
SMILESNC(c1c(F)cccc1F)C1Cc2ccccc21
InChIInChI=1S/C15H13F2N/c16-12-6-3-7-13(17)14(12)15(18)11-8-9-4-1-2-5-10(9)11/h1-7,11,15H,8,18H2
InChIKeyGZDLQZHMLLRGRH-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluoro-3-methylphenyl)methanamine
CID 82822545
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3-methoxyphenyl)methanamine
CID 64984334
3-[amino(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methyl]-4-methylpyridin-2-amine
CID 64983989
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-bromo-6-fluorophenyl)ethanamine
CID 114886837
7-bicyclo[4.2.0]octa-1,3,5-trienyl(cyclopropyl)methanamine
CID 64984734
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-fluoro-2-methoxyphenyl)methanamine
CID 66394751
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 64984157
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2,3-difluorophenyl)-N-methylethanamine
CID 64984397
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dichlorothiophen-3-yl)methanamine
CID 66395525
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(5-chloro-1-benzofuran-2-yl)methanamine
CID 114728843
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromothiophen-3-yl)methanamine
CID 66395720

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine (CID 64984280) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine is NC(c1c(F)cccc1F)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine?
The InChIKey is GZDLQZHMLLRGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N/c16-12-6-3-7-13(17)14(12)15(18)11-8-9-4-1-2-5-10(9)11/h1-7,11,15H,8,18H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine has a molecular weight of 245.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 64984280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).