3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

C12H10F5NO — CID 155823176

IUPAC3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC(F)(F)C1
InChIInChI=1S/C12H10F5NO/c13-11(14)5-7(6-11)10(19)18-9-3-1-2-8(4-9)12(15,16)17/h1-4,7H,5-6H2,(H,18,19)
InChIKeyQXHOUUFYXDFNIT-UHFFFAOYSA-N
MW279.21 g/mol
LogP3.69
Rot. Bonds2

About 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide

3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (PubChem CID 155823176) has the molecular formula C12H10F5NO and a molecular weight of 279.21 g/mol. Its IUPAC name is 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
PubChem CID155823176
Molecular FormulaC12H10F5NO
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Name3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)C1CC(F)(F)C1
InChIInChI=1S/C12H10F5NO/c13-11(14)5-7(6-11)10(19)18-9-3-1-2-8(4-9)12(15,16)17/h1-4,7H,5-6H2,(H,18,19)
InChIKeyQXHOUUFYXDFNIT-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[3-(trifluoromethyl)phenyl]azetidine-3-carboxamide;hydrochloride
CID 91623950
3,3-difluoro-N-(3-methylphenyl)cyclobutane-1-carboxamide
CID 126781653
1-N-(2-methylpropyl)-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109145347
3-(cyclopentanecarbonylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3978789
1-(2,2,2-trifluoroacetyl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 110344139
1-N-[3-(dimethylamino)propyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147332
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856
4-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 109146317
1-N-[2-(dimethylamino)ethyl]-4-N-[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 109147133

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide (CID 155823176) is 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)C1CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is QXHOUUFYXDFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5NO/c13-11(14)5-7(6-11)10(19)18-9-3-1-2-8(4-9)12(15,16)17/h1-4,7H,5-6H2,(H,18,19).
What are the key properties of 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide?
3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 279.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 155823176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).