N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine

C9H20F2N2 — CID 163239253

IUPACN-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine
SMILESCCN.CCNCC1CC(F)(F)C1
InChIInChI=1S/C7H13F2N.C2H7N/c1-2-10-5-6-3-7(8,9)4-6;1-2-3/h6,10H,2-5H2,1H3;2-3H2,1H3
InChIKeyGQUJEUYHFNZGBT-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.61
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine

N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine (PubChem CID 163239253) has the molecular formula C9H20F2N2 and a molecular weight of 194.27 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine
PubChem CID163239253
Molecular FormulaC9H20F2N2
Molecular Weight194.27 g/mol
Exact Mass194.16
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine
SMILESCCN.CCNCC1CC(F)(F)C1
InChIInChI=1S/C7H13F2N.C2H7N/c1-2-10-5-6-3-7(8,9)4-6;1-2-3/h6,10H,2-5H2,1H3;2-3H2,1H3
InChIKeyGQUJEUYHFNZGBT-UHFFFAOYSA-N
XLogP1.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

CID 21916234
CID 21916234
CID 71755558
CID 71755558
CID 155821531
CID 155821531
CID 19761945
CID 19761945
CID 19761974
CID 19761974
CID 21916235
CID 21916235
CID 21974230
CID 21974230
CID 22348799
CID 22348799
CID 22349072
CID 22349072
CID 22637562
CID 22637562
CID 43200466
CID 43200466
CID 60922535
CID 60922535

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine (CID 163239253) is N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine is CCN.CCNCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine?
The InChIKey is GQUJEUYHFNZGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.C2H7N/c1-2-10-5-6-3-7(8,9)4-6;1-2-3/h6,10H,2-5H2,1H3;2-3H2,1H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine?
N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine has a molecular weight of 194.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]ethanamine;ethanamine is sourced from PubChem (CID 163239253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).