N-[3-(trifluoromethyl)phenyl]formamide

C8H6F3NO — CID 12609

IUPACN-[3-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-5H,(H,12,13)
InChIKeyPPECHNDWLRNHEA-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.27
Rot. Bonds2

About N-[3-(trifluoromethyl)phenyl]formamide

N-[3-(trifluoromethyl)phenyl]formamide (PubChem CID 12609) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]formamide
PubChem CID12609
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC NameN-[3-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-5H,(H,12,13)
InChIKeyPPECHNDWLRNHEA-UHFFFAOYSA-N
XLogP2.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.27
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-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]formamide (CID 12609) is N-[3-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]formamide is O=CNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]formamide?
The InChIKey is PPECHNDWLRNHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c9-8(10,11)6-2-1-3-7(4-6)12-5-13/h1-5H,(H,12,13).
What are the key properties of N-[3-(trifluoromethyl)phenyl]formamide?
N-[3-(trifluoromethyl)phenyl]formamide has a molecular weight of 189.14 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 12609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).