[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine

C10H17F2NS — CID 115032891

IUPAC[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine
SMILESNCC1(C2CCSCC2)CC(F)(F)C1
InChIInChI=1S/C10H17F2NS/c11-10(12)5-9(6-10,7-13)8-1-3-14-4-2-8/h8H,1-7,13H2
InChIKeyUBGHFKKZHGTDEZ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.50
Rot. Bonds2

About [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine

[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine (PubChem CID 115032891) has the molecular formula C10H17F2NS and a molecular weight of 221.32 g/mol. Its IUPAC name is [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine
PubChem CID115032891
Molecular FormulaC10H17F2NS
Molecular Weight221.32 g/mol
Exact Mass221.10
IUPAC Name[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine
SMILESNCC1(C2CCSCC2)CC(F)(F)C1
InChIInChI=1S/C10H17F2NS/c11-10(12)5-9(6-10,7-13)8-1-3-14-4-2-8/h8H,1-7,13H2
InChIKeyUBGHFKKZHGTDEZ-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine?
The IUPAC name of [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine (CID 115032891) is [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine?
The canonical SMILES for [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine is NCC1(C2CCSCC2)CC(F)(F)C1.
What is the InChIKey of [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine?
The InChIKey is UBGHFKKZHGTDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NS/c11-10(12)5-9(6-10,7-13)8-1-3-14-4-2-8/h8H,1-7,13H2.
What are the key properties of [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine?
[3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine has a molecular weight of 221.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-difluoro-1-(thian-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 115032891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).