N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide

C8H10F3NO — CID 118941200

IUPACN-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC12CC(C1)C2)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)6(13)12-4-7-1-5(2-7)3-7/h5H,1-4H2,(H,12,13)
InChIKeyGWYDFDMINNAUJO-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.47
Rot. Bonds2

About N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide

N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 118941200) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide
PubChem CID118941200
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC12CC(C1)C2)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)6(13)12-4-7-1-5(2-7)3-7/h5H,1-4H2,(H,12,13)
InChIKeyGWYDFDMINNAUJO-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetamide, N-(cyclobutylmethyl)-2,2,2-trifluoro-
CID 57982585
N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide
CID 115190375
1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 118361886
N-({3-tert-butylbicyclo[1.1.1]pentan-1-yl}methyl)-2,2,2-trifluoroacetamide
CID 118941243
N-methyl-N-{[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]methyl}acetamide
CID 135392159
N-{[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]methyl}acetamide
CID 135393417
N-[(3,3-difluoro-1-methylcyclobutyl)methyl]acetamide
CID 155155046
1-cyclobutyl-N-methylmethanamine;N-(cyclobutylmethyl)-2,2,2-trifluoroacetamide
CID 161173156
N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)bicyclo[1.1.1]pentane-1-carboxamide
CID 167136623
N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoroacetamide
CID 177240335
N-(cyclobutylmethyl)-2,2-difluoroacetamide
CID 103515283
2,2,3,3-tetrafluoro-N-[(1-methylcyclobutyl)methyl]propanamide
CID 103737376

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide (CID 118941200) is N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC12CC(C1)C2)C(F)(F)F.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is GWYDFDMINNAUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)6(13)12-4-7-1-5(2-7)3-7/h5H,1-4H2,(H,12,13).
What are the key properties of N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide?
N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 118941200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).