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

C14H17F3N2 — CID 134279513

IUPAC10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESCC1NCCN2C=CC(C(F)(F)F)C3=C2C1=CCC3
InChIInChI=1S/C14H17F3N2/c1-9-10-3-2-4-11-12(14(15,16)17)5-7-19(13(10)11)8-6-18-9/h3,5,7,9,12,18H,2,4,6,8H2,1H3
InChIKeyYXSVRLBLQFMKJL-UHFFFAOYSA-N
MW270.30 g/mol
LogP2.96
Rot. Bonds

About 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279513) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279513
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESCC1NCCN2C=CC(C(F)(F)F)C3=C2C1=CCC3
InChIInChI=1S/C14H17F3N2/c1-9-10-3-2-4-11-12(14(15,16)17)5-7-19(13(10)11)8-6-18-9/h3,5,7,9,12,18H,2,4,6,8H2,1H3
InChIKeyYXSVRLBLQFMKJL-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

8-N-(3,3-difluorobutan-2-yl)-1,8a-dihydronaphthalene-1,8-diamine
CID 89637017
N-ethenyl-4-[(4-methyl-1,4-diazepan-1-yl)methyl]-3-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 130182728
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
(4R)-4-(2,2,2-trifluoroethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279507
(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

Frequently Asked Questions

What is the IUPAC name of 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279513) is 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is CC1NCCN2C=CC(C(F)(F)F)C3=C2C1=CCC3.
What is the InChIKey of 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is YXSVRLBLQFMKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-9-10-3-2-4-11-12(14(15,16)17)5-7-19(13(10)11)8-6-18-9/h3,5,7,9,12,18H,2,4,6,8H2,1H3.
What are the key properties of 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
10-methyl-4-(trifluoromethyl)-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, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-4-(trifluoromethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).