N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide

C9H10F3NO — CID 19599169

IUPACN-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(14)13-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,13,14)
InChIKeyOKOGEZNJYMYPPA-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.63
Rot. Bonds1

About N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide

N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide (PubChem CID 19599169) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide
PubChem CID19599169
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(14)13-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,13,14)
InChIKeyOKOGEZNJYMYPPA-UHFFFAOYSA-N
XLogP1.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(2,3,3,3-Tetrafluoropropionamido)bicyclo[2.2.1]heptane
CID 564262
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
CID 54046672
N-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2,2,2-trifluoroacetamide
CID 88110299
2,2,2-trifluoro-N-[(1R)-4-methylcyclohex-2-en-1-yl]acetamide
CID 141893727
N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3-tetrafluoropropanamide
CID 103733290
N-(cyclohex-3-en-1-ylmethyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038195
(1R)-N-[(1S)-cyclohex-2-en-1-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 124292126
(1S)-N-[(1R)-cyclohex-2-en-1-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 124292127
(1S)-N-[(1S)-cyclohex-2-en-1-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 124292128
(1R)-N-[(1R)-cyclohex-2-en-1-yl]-3,3-difluorocyclopentane-1-carboxamide
CID 124292129
N-(4,4-difluorocyclohexyl)cyclopent-3-ene-1-carboxamide
CID 126777220

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide (CID 19599169) is N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide is O=C(NC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide?
The InChIKey is OKOGEZNJYMYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8(14)13-7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,13,14).
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide?
N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide has a molecular weight of 205.18 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 19599169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).