(2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate

C15H15F3O2 — CID 91486784

IUPAC(2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
SMILESO=C(OC12CCC(CC1c1ccccc1)C2)C(F)(F)F
InChIInChI=1S/C15H15F3O2/c16-15(17,18)13(19)20-14-7-6-10(9-14)8-12(14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyINCKGOXNGPFYNX-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.82
Rot. Bonds2

About (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate

(2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate (PubChem CID 91486784) has the molecular formula C15H15F3O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
PubChem CID91486784
Molecular FormulaC15H15F3O2
Molecular Weight284.28 g/mol
Exact Mass284.10
IUPAC Name(2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
SMILESO=C(OC12CCC(CC1c1ccccc1)C2)C(F)(F)F
InChIInChI=1S/C15H15F3O2/c16-15(17,18)13(19)20-14-7-6-10(9-14)8-12(14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2
InChIKeyINCKGOXNGPFYNX-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-Phenyl-2-bicyclo[2.2.1]heptanyl) 2-(trifluoromethyl)prop-2-enoate
CID 57644315
(6-Phenyl-2-bicyclo[2.2.1]heptanyl)methyl 2,2-difluoroacetate
CID 58225735
(3-Deuterio-2-phenyl-2-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate
CID 91257397
[(1R,2S,4S)-2-[4-(trifluoromethyl)phenyl]-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 101229534
[(1R,2S,4S)-2-phenyl-2-bicyclo[2.2.1]heptanyl] 2,2,2-trifluoroacetate
CID 101628723
[(9S,11R)-11-(2,2,2-trifluoroacetyl)oxy-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] 2,2,2-trifluoroacetate
CID 102182617
syn-7-Acetoxybenzonorbornene
CID 582307
(2-Phenyl-1-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate
CID 22398308
(2-Phenyl-1-bicyclo[2.2.1]heptanyl) prop-2-enoate
CID 66990795
(6-Phenyl-2-bicyclo[2.2.1]heptanyl) acetate
CID 261698
[(1R,8R,9R)-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl] acetate
CID 11275694
[(1S,2R,4S,5R)-5-phenyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 12061239

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate (CID 91486784) is (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate is O=C(OC12CCC(CC1c1ccccc1)C2)C(F)(F)F.
What is the InChIKey of (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
The InChIKey is INCKGOXNGPFYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O2/c16-15(17,18)13(19)20-14-7-6-10(9-14)8-12(14)11-4-2-1-3-5-11/h1-5,10,12H,6-9H2.
What are the key properties of (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate?
(2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate has a molecular weight of 284.28 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1-bicyclo[2.2.1]heptanyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 91486784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).