N-(2,4,6-trifluorophenyl)formamide

C7H4F3NO — CID 19027811

IUPACN-(2,4,6-trifluorophenyl)formamide
SMILESO=CNc1c(F)cc(F)cc1F
InChIInChI=1S/C7H4F3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-3H,(H,11,12)
InChIKeyADSHTMHWRKUFAN-UHFFFAOYSA-N
MW175.11 g/mol
LogP1.67
Rot. Bonds2

About N-(2,4,6-trifluorophenyl)formamide

N-(2,4,6-trifluorophenyl)formamide (PubChem CID 19027811) has the molecular formula C7H4F3NO and a molecular weight of 175.11 g/mol. Its IUPAC name is N-(2,4,6-trifluorophenyl)formamide.

Molecular Properties

Compound NameN-(2,4,6-trifluorophenyl)formamide
PubChem CID19027811
Molecular FormulaC7H4F3NO
Molecular Weight175.11 g/mol
Exact Mass175.02
IUPAC NameN-(2,4,6-trifluorophenyl)formamide
SMILESO=CNc1c(F)cc(F)cc1F
InChIInChI=1S/C7H4F3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-3H,(H,11,12)
InChIKeyADSHTMHWRKUFAN-UHFFFAOYSA-N
XLogP1.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.11
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-difluoro-4-methylphenyl)formamide
CID 144501895
N-(2,6-dichloro-4-fluorophenyl)formamide
CID 15767077
N-(2-chloro-3,5-difluorophenyl)formamide
CID 168651358
N-(2,4-dichloro-6-fluorophenyl)formamide
CID 168654029
1,3-bis(2,4,6-trifluorophenyl)urea
CID 11716736
2-(2,4,6-trifluoroanilino)acetaldehyde
CID 168941947
N-[2-bromo-4-fluoro-6-(trifluoromethyl)phenyl]formamide
CID 168653043
2-chloro-5-formamido-N-(2,4,6-trifluorophenyl)benzamide
CID 166842286
N-(3,6-difluoro-2-iodophenyl)formamide
CID 168653677
N-(2-fluoro-6-hydroxyphenyl)formamide
CID 130016082
2,4,5-trifluoro-3-formamidobenzoic acid
CID 168651424
3,6-difluoro-2-formamidobenzoic acid
CID 168651747

Frequently Asked Questions

What is the IUPAC name of N-(2,4,6-trifluorophenyl)formamide?
The IUPAC name of N-(2,4,6-trifluorophenyl)formamide (CID 19027811) is N-(2,4,6-trifluorophenyl)formamide.
What is the SMILES notation for N-(2,4,6-trifluorophenyl)formamide?
The canonical SMILES for N-(2,4,6-trifluorophenyl)formamide is O=CNc1c(F)cc(F)cc1F.
What is the InChIKey of N-(2,4,6-trifluorophenyl)formamide?
The InChIKey is ADSHTMHWRKUFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-3H,(H,11,12).
What are the key properties of N-(2,4,6-trifluorophenyl)formamide?
N-(2,4,6-trifluorophenyl)formamide has a molecular weight of 175.11 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4,6-trifluorophenyl)formamide is sourced from PubChem (CID 19027811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).