N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine

C10H17F2NS — CID 130723835

IUPACN-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NS/c1-7-9(2-3-14-7)13-6-8-4-10(11,12)5-8/h7-9,13H,2-6H2,1H3
InChIKeyUJFIGEZDOXDBLB-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.52
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine

N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine (PubChem CID 130723835) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine
PubChem CID130723835
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine
SMILESCC1SCCC1NCC1CC(F)(F)C1
InChIInChI=1S/C10H17F2NS/c1-7-9(2-3-14-7)13-6-8-4-10(11,12)5-8/h7-9,13H,2-6H2,1H3
InChIKeyUJFIGEZDOXDBLB-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine (CID 130723835) is N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine is CC1SCCC1NCC1CC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
The InChIKey is UJFIGEZDOXDBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c1-7-9(2-3-14-7)13-6-8-4-10(11,12)5-8/h7-9,13H,2-6H2,1H3.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine?
N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine has a molecular weight of 221.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]-2-methylthiolan-3-amine is sourced from PubChem (CID 130723835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).