N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide

C9H7F4NO — CID 143764399

IUPACN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
SMILESO=CNCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H7F4NO/c10-8-3-1-2-7(9(11,12)13)6(8)4-14-5-15/h1-3,5H,4H2,(H,14,15)
InChIKeyGIHOEYHSWSASHG-UHFFFAOYSA-N
MW221.15 g/mol
LogP2.09
Rot. Bonds3

About N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide

N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide (PubChem CID 143764399) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
PubChem CID143764399
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC NameN-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide
SMILESO=CNCc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C9H7F4NO/c10-8-3-1-2-7(9(11,12)13)6(8)4-14-5-15/h1-3,5H,4H2,(H,14,15)
InChIKeyGIHOEYHSWSASHG-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.09
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

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-3-methylurea
CID 155260598
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
CID 117310513
2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 53434186
N-[2-methyl-2-[2-(trifluoromethyl)phenyl]propyl]formamide
CID 110477170
N-[[6-(trifluoromethyl)-2-pyridinyl]methyl]formamide
CID 144611139
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-6-(trifluoromethyl)aniline
CID 28950569
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-7H-purin-2-amine
CID 157079623
7-[2-fluoro-6-(trifluoromethyl)phenyl]heptane-2,5-dione
CID 22387504
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide?
The IUPAC name of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide (CID 143764399) is N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide?
The canonical SMILES for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide is O=CNCc1c(F)cccc1C(F)(F)F.
What is the InChIKey of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide?
The InChIKey is GIHOEYHSWSASHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO/c10-8-3-1-2-7(9(11,12)13)6(8)4-14-5-15/h1-3,5H,4H2,(H,14,15).
What are the key properties of N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide?
N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide has a molecular weight of 221.15 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]formamide is sourced from PubChem (CID 143764399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).