N-[3,5-bis(trifluoromethyl)phenyl]formamide

C9H5F6NO — CID 11322837

IUPACN-[3,5-bis(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H5F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-4H,(H,16,17)
InChIKeySKFOEYNIUQOLCA-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.29
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]formamide

N-[3,5-bis(trifluoromethyl)phenyl]formamide (PubChem CID 11322837) has the molecular formula C9H5F6NO and a molecular weight of 257.13 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]formamide
PubChem CID11322837
Molecular FormulaC9H5F6NO
Molecular Weight257.13 g/mol
Exact Mass257.03
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H5F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-4H,(H,16,17)
InChIKeySKFOEYNIUQOLCA-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]formamide (CID 11322837) is N-[3,5-bis(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]formamide is O=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]formamide?
The InChIKey is SKFOEYNIUQOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-4H,(H,16,17).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]formamide?
N-[3,5-bis(trifluoromethyl)phenyl]formamide has a molecular weight of 257.13 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 11322837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).