N-[(3,3-difluorocyclobutyl)methyl]formamide

C6H9F2NO — CID 130859227

IUPACN-[(3,3-difluorocyclobutyl)methyl]formamide
SMILESO=CNCC1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)1-5(2-6)3-9-4-10/h4-5H,1-3H2,(H,9,10)
InChIKeyQOFKIAAPNMMUDK-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.78
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]formamide

N-[(3,3-difluorocyclobutyl)methyl]formamide (PubChem CID 130859227) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]formamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]formamide
PubChem CID130859227
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]formamide
SMILESO=CNCC1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)1-5(2-6)3-9-4-10/h4-5H,1-3H2,(H,9,10)
InChIKeyQOFKIAAPNMMUDK-UHFFFAOYSA-N
XLogP0.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4,4,4-trifluoro-2-methylbutyl)formamide
CID 53665808
N-(4,4,5,5,5-pentafluoropentyl)formamide
CID 53861509
Acetamide, N-(cyclobutylmethyl)-2,2,2-trifluoro-
CID 57982585
N-(5,5,5-trifluoropentyl)formamide
CID 87288762
[(3,3-Difluorocyclobutyl)methyl]urea
CID 128493717
N-[(2-fluorocyclobutyl)methyl]formamide
CID 160060303
N-[3-(fluoromethyl)cyclobutyl]formamide
CID 166978945
N-[(3-fluorocyclobutyl)methyl]formamide
CID 173838815
N-[(2,2-difluorocyclobutyl)methyl]formamide
CID 173838822
N-(cyclobutylmethyl)-2,2-difluoroacetamide
CID 103515283
N-[3-(difluoromethyl)cyclobutyl]formamide
CID 144845349
N-(cyclobutylmethyl)formamide
CID 54166403

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]formamide?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]formamide (CID 130859227) is N-[(3,3-difluorocyclobutyl)methyl]formamide.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]formamide?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]formamide is O=CNCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]formamide?
The InChIKey is QOFKIAAPNMMUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)1-5(2-6)3-9-4-10/h4-5H,1-3H2,(H,9,10).
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]formamide?
N-[(3,3-difluorocyclobutyl)methyl]formamide has a molecular weight of 149.14 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]formamide is sourced from PubChem (CID 130859227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).