N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen

C7H13F2NO — CID 155693996

IUPACN-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen
SMILESCC(=O)NCC1CC(F)(F)C1.[H][H]
InChIInChI=1S/C7H11F2NO.H2/c1-5(11)10-4-6-2-7(8,9)3-6;/h6H,2-4H2,1H3,(H,10,11);1H
InChIKeySTWCFGQYRSQPNJ-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.41
Rot. Bonds2

About N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen

N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen (PubChem CID 155693996) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen
PubChem CID155693996
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen
SMILESCC(=O)NCC1CC(F)(F)C1.[H][H]
InChIInChI=1S/C7H11F2NO.H2/c1-5(11)10-4-6-2-7(8,9)3-6;/h6H,2-4H2,1H3,(H,10,11);1H
InChIKeySTWCFGQYRSQPNJ-UHFFFAOYSA-N
XLogP1.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen (CID 155693996) is N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen is CC(=O)NCC1CC(F)(F)C1.[H][H].
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen?
The InChIKey is STWCFGQYRSQPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO.H2/c1-5(11)10-4-6-2-7(8,9)3-6;/h6H,2-4H2,1H3,(H,10,11);1H.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen?
N-[(3,3-difluorocyclobutyl)methyl]acetamide;molecular hydrogen has a molecular weight of 165.18 g/mol, XLogP of 1.41, 2 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]acetamide;molecular hydrogen is sourced from PubChem (CID 155693996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).