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

C14H17F3N2 — CID 134279507

IUPAC(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESFC(F)(F)C[C@@H]1C=CN2CCNCC3=CCCC1=C32
InChIInChI=1S/C14H17F3N2/c15-14(16,17)8-10-4-6-19-7-5-18-9-11-2-1-3-12(10)13(11)19/h2,4,6,10,18H,1,3,5,7-9H2/t10-/m0/s1
InChIKeyRSZFMYGBQTXVKV-JTQLQIEISA-N
MW270.30 g/mol
LogP2.96
Rot. Bonds1

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

(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279507) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279507
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESFC(F)(F)C[C@@H]1C=CN2CCNCC3=CCCC1=C32
InChIInChI=1S/C14H17F3N2/c15-14(16,17)8-10-4-6-19-7-5-18-9-11-2-1-3-12(10)13(11)19/h2,4,6,10,18H,1,3,5,7-9H2/t10-/m0/s1
InChIKeyRSZFMYGBQTXVKV-JTQLQIEISA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 52.96
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
4-(Fluoromethyl)-10-methyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279505
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-(2,2-Difluorocyclopropyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279615

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279507) is (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is FC(F)(F)C[C@@H]1C=CN2CCNCC3=CCCC1=C32.
What is the InChIKey of (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is RSZFMYGBQTXVKV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17F3N2/c15-14(16,17)8-10-4-6-19-7-5-18-9-11-2-1-3-12(10)13(11)19/h2,4,6,10,18H,1,3,5,7-9H2/t10-/m0/s1.
What are the key properties of (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 270.30 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).