(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C13H13F3 — CID 58591930

IUPAC(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc2c(c1)[C@@H]1CCC[C@@H]2C1
InChIInChI=1S/C13H13F3/c14-13(15,16)10-4-5-11-8-2-1-3-9(6-8)12(11)7-10/h4-5,7-9H,1-3,6H2/t8-,9-/m1/s1
InChIKeyJOGZRVVSCZIHNW-RKDXNWHRSA-N
MW226.24 g/mol
LogP4.46
Rot. Bonds

About (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 58591930) has the molecular formula C13H13F3 and a molecular weight of 226.24 g/mol. Its IUPAC name is (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID58591930
Molecular FormulaC13H13F3
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESFC(F)(F)c1ccc2c(c1)[C@@H]1CCC[C@@H]2C1
InChIInChI=1S/C13H13F3/c14-13(15,16)10-4-5-11-8-2-1-3-9(6-8)12(11)7-10/h4-5,7-9H,1-3,6H2/t8-,9-/m1/s1
InChIKeyJOGZRVVSCZIHNW-RKDXNWHRSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 58591930) is (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is FC(F)(F)c1ccc2c(c1)[C@@H]1CCC[C@@H]2C1.
What is the InChIKey of (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is JOGZRVVSCZIHNW-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H13F3/c14-13(15,16)10-4-5-11-8-2-1-3-9(6-8)12(11)7-10/h4-5,7-9H,1-3,6H2/t8-,9-/m1/s1.
What are the key properties of (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
(1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 226.24 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-4-(trifluoromethyl)tricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 58591930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).