N-(2,2-difluorocyclobutyl)-N-methylformamide

C6H9F2NO — CID 175152491

IUPACN-(2,2-difluorocyclobutyl)-N-methylformamide
SMILESCN(C=O)C1CCC1(F)F
InChIInChI=1S/C6H9F2NO/c1-9(4-10)5-2-3-6(5,7)8/h4-5H,2-3H2,1H3
InChIKeyPTKIULQIFIVCOG-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds2

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

N-(2,2-difluorocyclobutyl)-N-methylformamide (PubChem CID 175152491) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is N-(2,2-difluorocyclobutyl)-N-methylformamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclobutyl)-N-methylformamide
PubChem CID175152491
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC NameN-(2,2-difluorocyclobutyl)-N-methylformamide
SMILESCN(C=O)C1CCC1(F)F
InChIInChI=1S/C6H9F2NO/c1-9(4-10)5-2-3-6(5,7)8/h4-5H,2-3H2,1H3
InChIKeyPTKIULQIFIVCOG-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
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-difluorocyclobutyl)-N-methylformamide?
The IUPAC name of N-(2,2-difluorocyclobutyl)-N-methylformamide (CID 175152491) is N-(2,2-difluorocyclobutyl)-N-methylformamide.
What is the SMILES notation for N-(2,2-difluorocyclobutyl)-N-methylformamide?
The canonical SMILES for N-(2,2-difluorocyclobutyl)-N-methylformamide is CN(C=O)C1CCC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclobutyl)-N-methylformamide?
The InChIKey is PTKIULQIFIVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-9(4-10)5-2-3-6(5,7)8/h4-5H,2-3H2,1H3.
What are the key properties of N-(2,2-difluorocyclobutyl)-N-methylformamide?
N-(2,2-difluorocyclobutyl)-N-methylformamide has a molecular weight of 149.14 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclobutyl)-N-methylformamide is sourced from PubChem (CID 175152491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).