N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

C13H18F3NO2 — CID 103857496

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(C1C2C3CCC(C3)C12)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)6-17(3-4-18)12(19)11-9-7-1-2-8(5-7)10(9)11/h7-11,18H,1-6H2
InChIKeyYATOAVFUSLEMRR-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.66
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (PubChem CID 103857496) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
PubChem CID103857496
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
SMILESO=C(C1C2C3CCC(C3)C12)N(CCO)CC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c14-13(15,16)6-17(3-4-18)12(19)11-9-7-1-2-8(5-7)10(9)11/h7-11,18H,1-6H2
InChIKeyYATOAVFUSLEMRR-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide (CID 103857496) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is O=C(C1C2C3CCC(C3)C12)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
The InChIKey is YATOAVFUSLEMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c14-13(15,16)6-17(3-4-18)12(19)11-9-7-1-2-8(5-7)10(9)11/h7-11,18H,1-6H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide has a molecular weight of 277.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)tricyclo[3.2.1.02,4]octane-3-carboxamide is sourced from PubChem (CID 103857496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).