N-(2-fluorobutyl)-N-methylformamide

C6H12FNO — CID 143729970

IUPACN-(2-fluorobutyl)-N-methylformamide
SMILESCCC(F)CN(C)C=O
InChIInChI=1S/C6H12FNO/c1-3-6(7)4-8(2)5-9/h5-6H,3-4H2,1-2H3
InChIKeyRNDJYQCHQLGSTM-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.82
Rot. Bonds4

About N-(2-fluorobutyl)-N-methylformamide

N-(2-fluorobutyl)-N-methylformamide (PubChem CID 143729970) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is N-(2-fluorobutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2-fluorobutyl)-N-methylformamide
PubChem CID143729970
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC NameN-(2-fluorobutyl)-N-methylformamide
SMILESCCC(F)CN(C)C=O
InChIInChI=1S/C6H12FNO/c1-3-6(7)4-8(2)5-9/h5-6H,3-4H2,1-2H3
InChIKeyRNDJYQCHQLGSTM-UHFFFAOYSA-N
XLogP0.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorobutyl)-N-methylformamide?
The IUPAC name of N-(2-fluorobutyl)-N-methylformamide (CID 143729970) is N-(2-fluorobutyl)-N-methylformamide.
What is the SMILES notation for N-(2-fluorobutyl)-N-methylformamide?
The canonical SMILES for N-(2-fluorobutyl)-N-methylformamide is CCC(F)CN(C)C=O.
What is the InChIKey of N-(2-fluorobutyl)-N-methylformamide?
The InChIKey is RNDJYQCHQLGSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-6(7)4-8(2)5-9/h5-6H,3-4H2,1-2H3.
What are the key properties of N-(2-fluorobutyl)-N-methylformamide?
N-(2-fluorobutyl)-N-methylformamide has a molecular weight of 133.17 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorobutyl)-N-methylformamide is sourced from PubChem (CID 143729970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).