N-fluoro-N-pentylformamide

C6H12FNO — CID 143232695

IUPACN-fluoro-N-pentylformamide
SMILESCCCCCN(F)C=O
InChIInChI=1S/C6H12FNO/c1-2-3-4-5-8(7)6-9/h6H,2-5H2,1H3
InChIKeyIYIGDOITESVVTH-UHFFFAOYSA-N
MW133.17 g/mol
LogP1.52
Rot. Bonds5

About N-fluoro-N-pentylformamide

N-fluoro-N-pentylformamide (PubChem CID 143232695) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-fluoro-N-pentylformamide.

Molecular Properties

Compound NameN-fluoro-N-pentylformamide
PubChem CID143232695
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-fluoro-N-pentylformamide
SMILESCCCCCN(F)C=O
InChIInChI=1S/C6H12FNO/c1-2-3-4-5-8(7)6-9/h6H,2-5H2,1H3
InChIKeyIYIGDOITESVVTH-UHFFFAOYSA-N
XLogP1.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-pentylformamide?
The IUPAC name of N-fluoro-N-pentylformamide (CID 143232695) is N-fluoro-N-pentylformamide.
What is the SMILES notation for N-fluoro-N-pentylformamide?
The canonical SMILES for N-fluoro-N-pentylformamide is CCCCCN(F)C=O.
What is the InChIKey of N-fluoro-N-pentylformamide?
The InChIKey is IYIGDOITESVVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-2-3-4-5-8(7)6-9/h6H,2-5H2,1H3.
What are the key properties of N-fluoro-N-pentylformamide?
N-fluoro-N-pentylformamide has a molecular weight of 133.17 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-pentylformamide is sourced from PubChem (CID 143232695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).