7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene

C19H19F2N — CID 162582251

IUPAC7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene
SMILESC=C1N2C=CC=C3C2=C2C(=CC=CC2C3(F)F)C1(CC)CC
InChIInChI=1S/C19H19F2N/c1-4-18(5-2)12(3)22-11-7-10-15-17(22)16-13(18)8-6-9-14(16)19(15,20)21/h6-11,14H,3-5H2,1-2H3
InChIKeyIJHHTDSHIOUZIW-UHFFFAOYSA-N
MW299.36 g/mol
LogP5.09
Rot. Bonds2

About 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene

7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene (PubChem CID 162582251) has the molecular formula C19H19F2N and a molecular weight of 299.36 g/mol. Its IUPAC name is 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene.

Molecular Properties

Compound Name7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene
PubChem CID162582251
Molecular FormulaC19H19F2N
Molecular Weight299.36 g/mol
Exact Mass299.15
IUPAC Name7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene
SMILESC=C1N2C=CC=C3C2=C2C(=CC=CC2C3(F)F)C1(CC)CC
InChIInChI=1S/C19H19F2N/c1-4-18(5-2)12(3)22-11-7-10-15-17(22)16-13(18)8-6-9-14(16)19(15,20)21/h6-11,14H,3-5H2,1-2H3
InChIKeyIJHHTDSHIOUZIW-UHFFFAOYSA-N
XLogP5.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene?
The IUPAC name of 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene (CID 162582251) is 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene.
What is the SMILES notation for 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene?
The canonical SMILES for 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene is C=C1N2C=CC=C3C2=C2C(=CC=CC2C3(F)F)C1(CC)CC.
What is the InChIKey of 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene?
The InChIKey is IJHHTDSHIOUZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N/c1-4-18(5-2)12(3)22-11-7-10-15-17(22)16-13(18)8-6-9-14(16)19(15,20)21/h6-11,14H,3-5H2,1-2H3.
What are the key properties of 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene?
7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene has a molecular weight of 299.36 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-diethyl-15,15-difluoro-6-methylidene-5-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,8,10,13-pentaene is sourced from PubChem (CID 162582251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).