N-(4-fluorobutyl)-N-methylformamide

C6H12FNO — CID 153370981

IUPACN-(4-fluorobutyl)-N-methylformamide
SMILESCN(C=O)CCCCF
InChIInChI=1S/C6H12FNO/c1-8(6-9)5-3-2-4-7/h6H,2-5H2,1H3
InChIKeyYUAWWRJGPBFJAR-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.82
Rot. Bonds5

About N-(4-fluorobutyl)-N-methylformamide

N-(4-fluorobutyl)-N-methylformamide (PubChem CID 153370981) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-(4-fluorobutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(4-fluorobutyl)-N-methylformamide
PubChem CID153370981
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-(4-fluorobutyl)-N-methylformamide
SMILESCN(C=O)CCCCF
InChIInChI=1S/C6H12FNO/c1-8(6-9)5-3-2-4-7/h6H,2-5H2,1H3
InChIKeyYUAWWRJGPBFJAR-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorobutyl)-N-methylformamide?
The IUPAC name of N-(4-fluorobutyl)-N-methylformamide (CID 153370981) is N-(4-fluorobutyl)-N-methylformamide.
What is the SMILES notation for N-(4-fluorobutyl)-N-methylformamide?
The canonical SMILES for N-(4-fluorobutyl)-N-methylformamide is CN(C=O)CCCCF.
What is the InChIKey of N-(4-fluorobutyl)-N-methylformamide?
The InChIKey is YUAWWRJGPBFJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8(6-9)5-3-2-4-7/h6H,2-5H2,1H3.
What are the key properties of N-(4-fluorobutyl)-N-methylformamide?
N-(4-fluorobutyl)-N-methylformamide has a molecular weight of 133.17 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorobutyl)-N-methylformamide is sourced from PubChem (CID 153370981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).