4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

C15H18F2N2 — CID 134279615

IUPAC4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESFC1(F)CC1C1C=CN2CCNCC3=CCCC1=C32
InChIInChI=1S/C15H18F2N2/c16-15(17)8-13(15)11-4-6-19-7-5-18-9-10-2-1-3-12(11)14(10)19/h2,4,6,11,13,18H,1,3,5,7-9H2
InChIKeyHDYXBJSKWRPNMR-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.66
Rot. Bonds1

About 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279615) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279615
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESFC1(F)CC1C1C=CN2CCNCC3=CCCC1=C32
InChIInChI=1S/C15H18F2N2/c16-15(17)8-13(15)11-4-6-19-7-5-18-9-10-2-1-3-12(11)14(10)19/h2,4,6,11,13,18H,1,3,5,7-9H2
InChIKeyHDYXBJSKWRPNMR-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-Trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279491
(4R)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279501
(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279507
10-Methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279513
(4S)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279521
4-(Trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279522
4-(Difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279524
(4S)-4-(difluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279531
4-(Difluoromethyl)-10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279538
(4S)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279543
(4R)-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279554
4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
CID 134279572

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279615) is 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is FC1(F)CC1C1C=CN2CCNCC3=CCCC1=C32.
What is the InChIKey of 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is HDYXBJSKWRPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c16-15(17)8-13(15)11-4-6-19-7-5-18-9-10-2-1-3-12(11)14(10)19/h2,4,6,11,13,18H,1,3,5,7-9H2.
What are the key properties of 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 264.32 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).