N-(2,2-difluorobutyl)-N-methylformamide

C6H11F2NO — CID 89308150

IUPACN-(2,2-difluorobutyl)-N-methylformamide
SMILESCCC(F)(F)CN(C)C=O
InChIInChI=1S/C6H11F2NO/c1-3-6(7,8)4-9(2)5-10/h5H,3-4H2,1-2H3
InChIKeyPCGAMXGMGUCSKW-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.12
Rot. Bonds4

About N-(2,2-difluorobutyl)-N-methylformamide

N-(2,2-difluorobutyl)-N-methylformamide (PubChem CID 89308150) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)-N-methylformamide
PubChem CID89308150
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC NameN-(2,2-difluorobutyl)-N-methylformamide
SMILESCCC(F)(F)CN(C)C=O
InChIInChI=1S/C6H11F2NO/c1-3-6(7,8)4-9(2)5-10/h5H,3-4H2,1-2H3
InChIKeyPCGAMXGMGUCSKW-UHFFFAOYSA-N
XLogP1.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.12
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-(2,2-difluorobutyl)-N-methylformamide?
The IUPAC name of N-(2,2-difluorobutyl)-N-methylformamide (CID 89308150) is N-(2,2-difluorobutyl)-N-methylformamide.
What is the SMILES notation for N-(2,2-difluorobutyl)-N-methylformamide?
The canonical SMILES for N-(2,2-difluorobutyl)-N-methylformamide is CCC(F)(F)CN(C)C=O.
What is the InChIKey of N-(2,2-difluorobutyl)-N-methylformamide?
The InChIKey is PCGAMXGMGUCSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-3-6(7,8)4-9(2)5-10/h5H,3-4H2,1-2H3.
What are the key properties of N-(2,2-difluorobutyl)-N-methylformamide?
N-(2,2-difluorobutyl)-N-methylformamide has a molecular weight of 151.16 g/mol, XLogP of 1.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)-N-methylformamide is sourced from PubChem (CID 89308150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).