N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide

C12H10F3NO — CID 167872368

IUPACN-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C12CC1C2
InChIInChI=1S/C12H10F3NO/c13-12(14,15)7-1-3-9(4-2-7)16-10(17)11-5-8(11)6-11/h1-4,8H,5-6H2,(H,16,17)
InChIKeyYWGSSYWJXGVNFI-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.05
Rot. Bonds2

About N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide

N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide (PubChem CID 167872368) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
PubChem CID167872368
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC NameN-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)C12CC1C2
InChIInChI=1S/C12H10F3NO/c13-12(14,15)7-1-3-9(4-2-7)16-10(17)11-5-8(11)6-11/h1-4,8H,5-6H2,(H,16,17)
InChIKeyYWGSSYWJXGVNFI-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 65466760
1-N'-(4-fluorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982390
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
2,2-dichloro-1-methyl-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 17071382
1-carbamothioyl-3-methyl-N-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80593033
1-carbamothioyl-N-[4-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 80592600
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
potassium [4-(trifluoromethyl)phenyl]carbamoylazanide
CID 143489977
4-ethyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 63127198
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
1-N'-(3-methylphenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108980789
1-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130758

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide (CID 167872368) is N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)C12CC1C2.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is YWGSSYWJXGVNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c13-12(14,15)7-1-3-9(4-2-7)16-10(17)11-5-8(11)6-11/h1-4,8H,5-6H2,(H,16,17).
What are the key properties of N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide?
N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]bicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 167872368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).