[3-(2,2-difluoroethyl)thiolan-3-yl]methanamine

C7H13F2NS — CID 105439603

IUPAC[3-(2,2-difluoroethyl)thiolan-3-yl]methanamine
SMILESNCC1(CC(F)F)CCSC1
InChIInChI=1S/C7H13F2NS/c8-6(9)3-7(4-10)1-2-11-5-7/h6H,1-5,10H2
InChIKeyCWYZWDSERVKUMF-UHFFFAOYSA-N
MW181.25 g/mol
LogP1.72
Rot. Bonds3

About [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine

[3-(2,2-difluoroethyl)thiolan-3-yl]methanamine (PubChem CID 105439603) has the molecular formula C7H13F2NS and a molecular weight of 181.25 g/mol. Its IUPAC name is [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoroethyl)thiolan-3-yl]methanamine
PubChem CID105439603
Molecular FormulaC7H13F2NS
Molecular Weight181.25 g/mol
Exact Mass181.07
IUPAC Name[3-(2,2-difluoroethyl)thiolan-3-yl]methanamine
SMILESNCC1(CC(F)F)CCSC1
InChIInChI=1S/C7H13F2NS/c8-6(9)3-7(4-10)1-2-11-5-7/h6H,1-5,10H2
InChIKeyCWYZWDSERVKUMF-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine?
The IUPAC name of [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine (CID 105439603) is [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine.
What is the SMILES notation for [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine?
The canonical SMILES for [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine is NCC1(CC(F)F)CCSC1.
What is the InChIKey of [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine?
The InChIKey is CWYZWDSERVKUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NS/c8-6(9)3-7(4-10)1-2-11-5-7/h6H,1-5,10H2.
What are the key properties of [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine?
[3-(2,2-difluoroethyl)thiolan-3-yl]methanamine has a molecular weight of 181.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethyl)thiolan-3-yl]methanamine is sourced from PubChem (CID 105439603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).