N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide

C8H5F4NO — CID 64992789

IUPACN-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H5F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-4H,(H,13,14)
InChIKeyZOAFNOJZEVKQMR-UHFFFAOYSA-N
MW207.13 g/mol
LogP2.41
Rot. Bonds2

About N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide

N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide (PubChem CID 64992789) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
PubChem CID64992789
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC NameN-[2-fluoro-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H5F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-4H,(H,13,14)
InChIKeyZOAFNOJZEVKQMR-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 52.41
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-[2-fluoro-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide (CID 64992789) is N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide is O=CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is ZOAFNOJZEVKQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-6-2-1-5(8(10,11)12)3-7(6)13-4-14/h1-4H,(H,13,14).
What are the key properties of N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide?
N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 207.13 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 64992789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).