2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate

C13H18F3NO2 — CID 61068976

IUPAC2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate
SMILESO=C(NC1CC2CC1C1CCCC21)OCC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)6-19-12(18)17-11-5-7-4-10(11)9-3-1-2-8(7)9/h7-11H,1-6H2,(H,17,18)
InChIKeyBXJORHWTOXIDSQ-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.10
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate

2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate (PubChem CID 61068976) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate
PubChem CID61068976
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate
SMILESO=C(NC1CC2CC1C1CCCC21)OCC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)6-19-12(18)17-11-5-7-4-10(11)9-3-1-2-8(7)9/h7-11H,1-6H2,(H,17,18)
InChIKeyBXJORHWTOXIDSQ-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate (CID 61068976) is 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate is O=C(NC1CC2CC1C1CCCC21)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate?
The InChIKey is BXJORHWTOXIDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c14-13(15,16)6-19-12(18)17-11-5-7-4-10(11)9-3-1-2-8(7)9/h7-11H,1-6H2,(H,17,18).
What are the key properties of 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate?
2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate has a molecular weight of 277.29 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(8-tricyclo[5.2.1.02,6]decanyl)carbamate is sourced from PubChem (CID 61068976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).