7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane

C13H14F3N — CID 123494904

IUPAC7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1cccc(N2C3CCC2CC3)c1
InChIInChI=1S/C13H14F3N/c14-13(15,16)9-2-1-3-12(8-9)17-10-4-5-11(17)7-6-10/h1-3,8,10-11H,4-7H2
InChIKeyDVKKTPNEZNOLNX-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.84
Rot. Bonds1

About 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane

7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 123494904) has the molecular formula C13H14F3N and a molecular weight of 241.26 g/mol. Its IUPAC name is 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
PubChem CID123494904
Molecular FormulaC13H14F3N
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
SMILESFC(F)(F)c1cccc(N2C3CCC2CC3)c1
InChIInChI=1S/C13H14F3N/c14-13(15,16)9-2-1-3-12(8-9)17-10-4-5-11(17)7-6-10/h1-3,8,10-11H,4-7H2
InChIKeyDVKKTPNEZNOLNX-UHFFFAOYSA-N
XLogP3.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62713403
2-[3-(trifluoromethyl)phenyl]-2-azabicyclo[2.2.1]heptane
CID 22337678
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
1-(1-methylpiperidin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 784417
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
1-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]pyrrole-2,5-diol
CID 91433845
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
CID 117002935
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
2-[1-[3-(trifluoromethyl)phenyl]piperidin-4-yl]ethanol
CID 21096919
(1R,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 21239547
1-[(3R)-thiolan-3-yl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 30983731
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446

Frequently Asked Questions

What is the IUPAC name of 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane (CID 123494904) is 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane is FC(F)(F)c1cccc(N2C3CCC2CC3)c1.
What is the InChIKey of 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is DVKKTPNEZNOLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N/c14-13(15,16)9-2-1-3-12(8-9)17-10-4-5-11(17)7-6-10/h1-3,8,10-11H,4-7H2.
What are the key properties of 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane?
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 241.26 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 123494904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).