[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate

C15H23F3O3 — CID 22976693

IUPAC[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)OC(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C15H23F3O3/c1-14(2,3)21-13(19)20-12(15(16,17)18)8-11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3
InChIKeyHBSJUDSTFMKULF-UHFFFAOYSA-N
MW308.34 g/mol
LogP4.70
Rot. Bonds3

About [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate

[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate (PubChem CID 22976693) has the molecular formula C15H23F3O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate.

Molecular Properties

Compound Name[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
PubChem CID22976693
Molecular FormulaC15H23F3O3
Molecular Weight308.34 g/mol
Exact Mass308.16
IUPAC Name[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate
SMILESCC(C)(C)OC(=O)OC(CC1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C15H23F3O3/c1-14(2,3)21-13(19)20-12(15(16,17)18)8-11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3
InChIKeyHBSJUDSTFMKULF-UHFFFAOYSA-N
XLogP4.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 121262827
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CID 20743916
CID 20743916
CID 20743923
CID 20743923
CID 20743925
CID 20743925
CID 20743926
CID 20743926
CID 20743932
CID 20743932
CID 20743933
CID 20743933
CID 20743940
CID 20743940
CID 20743941
CID 20743941
CID 20743942
CID 20743942

Frequently Asked Questions

What is the IUPAC name of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate?
The IUPAC name of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate (CID 22976693) is [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate.
What is the SMILES notation for [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate?
The canonical SMILES for [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate is CC(C)(C)OC(=O)OC(CC1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate?
The InChIKey is HBSJUDSTFMKULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3O3/c1-14(2,3)21-13(19)20-12(15(16,17)18)8-11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3.
What are the key properties of [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate?
[3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate has a molecular weight of 308.34 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-yl] tert-butyl carbonate is sourced from PubChem (CID 22976693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).