2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C12H18F3NO — CID 64592053

IUPAC2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C(F)(F)F
InChIInChI=1S/C12H18F3NO/c1-10(2)7-4-5-11(3,6-7)8(10)16-9(17)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyTXSSXQHJCMHRGW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.88
Rot. Bonds1

About 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 64592053) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID64592053
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C(F)(F)F
InChIInChI=1S/C12H18F3NO/c1-10(2)7-4-5-11(3,6-7)8(10)16-9(17)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17)
InChIKeyTXSSXQHJCMHRGW-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 64592053) is 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC12CCC(C1)C(C)(C)C2NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is TXSSXQHJCMHRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-10(2)7-4-5-11(3,6-7)8(10)16-9(17)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 249.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 64592053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).