N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide

C9H9F2NO — CID 21098581

IUPACN-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide
SMILESO=CNCC(F)c1ccc(F)cc1
InChIInChI=1S/C9H9F2NO/c10-8-3-1-7(2-4-8)9(11)5-12-6-13/h1-4,6,9H,5H2,(H,12,13)
InChIKeyNSODLKZXHGVEEB-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.58
Rot. Bonds4

About N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide

N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide (PubChem CID 21098581) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide
PubChem CID21098581
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC NameN-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide
SMILESO=CNCC(F)c1ccc(F)cc1
InChIInChI=1S/C9H9F2NO/c10-8-3-1-7(2-4-8)9(11)5-12-6-13/h1-4,6,9H,5H2,(H,12,13)
InChIKeyNSODLKZXHGVEEB-UHFFFAOYSA-N
XLogP1.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.58
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-2-(4-fluorophenyl)ethyl]formamide?
The IUPAC name of N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide (CID 21098581) is N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide.
What is the SMILES notation for N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide?
The canonical SMILES for N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide is O=CNCC(F)c1ccc(F)cc1.
What is the InChIKey of N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide?
The InChIKey is NSODLKZXHGVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-8-3-1-7(2-4-8)9(11)5-12-6-13/h1-4,6,9H,5H2,(H,12,13).
What are the key properties of N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide?
N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide has a molecular weight of 185.17 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-2-(4-fluorophenyl)ethyl]formamide is sourced from PubChem (CID 21098581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).