2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C13H20F3NO2 — CID 133817121

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESC1CC2CC1CC2CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)8-19-4-3-17-12(18)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,17,18)
InChIKeyHSEWDJYAXNVMQV-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.90
Rot. Bonds6

About 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 133817121) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID133817121
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESC1CC2CC1CC2CC(=O)NCCOCC(F)(F)F
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)8-19-4-3-17-12(18)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,17,18)
InChIKeyHSEWDJYAXNVMQV-UHFFFAOYSA-N
XLogP2.90
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity320

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(morpholin-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4989658
N-[3-(morpholin-4-yl)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 2853700
N-(4,4,4-trifluoro-3-hydroxybutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 72132101
N-[(4-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 169221443
N-[(2-fluorooxan-4-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 170550527
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51072709
2-cyclohexyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 60401633
3-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 63834527
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
3-(2-aminoethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 63834699
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 64378650
2-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 65880533

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 133817121) is 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is C1CC2CC1CC2CC(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is HSEWDJYAXNVMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)8-19-4-3-17-12(18)7-11-6-9-1-2-10(11)5-9/h9-11H,1-8H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 279.30 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 133817121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).