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

C12H19F2NO — CID 103515254

IUPAC2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C(F)F
InChIInChI=1S/C12H19F2NO/c1-11(2)7-4-5-12(3,6-7)10(11)15-9(16)8(13)14/h7-8,10H,4-6H2,1-3H3,(H,15,16)
InChIKeyHJCKUEFDRGEZQY-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.58
Rot. Bonds2

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

2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 103515254) has the molecular formula C12H19F2NO and a molecular weight of 231.29 g/mol. Its IUPAC name is 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID103515254
Molecular FormulaC12H19F2NO
Molecular Weight231.29 g/mol
Exact Mass231.14
IUPAC Name2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)C(F)F
InChIInChI=1S/C12H19F2NO/c1-11(2)7-4-5-12(3,6-7)10(11)15-9(16)8(13)14/h7-8,10H,4-6H2,1-3H3,(H,15,16)
InChIKeyHJCKUEFDRGEZQY-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,7,7-Trimethyl-bicyclo(2.2.1)hept-2-YL)-acetamide
CID 212644
N-(5-ethyl-3-bicyclo[2.2.1]heptanyl)acetamide
CID 4896559
N-((1s,2s,4s)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)acetamide
CID 34365223
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-2-(trifluoromethyl)butanamide
CID 21063624
2,2-difluoro-2-oxidoperoxysulfanyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 59349843
2,2-difluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-(trioxidanylsulfanyl)acetamide
CID 59349844
N-(2-bicyclo[2.2.1]heptanylmethyl)-2,2-difluoropropanamide
CID 68077666
N-[(2S)-2-amino-3-cyclohexylpropyl]-2,2,2-trifluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 87493550
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 163395342
(1R,2S,3R,4S)-3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 163395343
(1R,2S,3R,4S)-3-amino-N-[[1-(trifluoromethyl)cyclobutyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396186
3-amino-N-(3,3,3-trifluoro-2,2-dimethylpropyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 167110752

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 103515254) is 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC12CCC(C1)C(C)(C)C2NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is HJCKUEFDRGEZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO/c1-11(2)7-4-5-12(3,6-7)10(11)15-9(16)8(13)14/h7-8,10H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 231.29 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 103515254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).