N-(3,3,3-trifluoropropyl)thiolan-3-amine

C7H12F3NS — CID 63226293

IUPACN-(3,3,3-trifluoropropyl)thiolan-3-amine
SMILESFC(F)(F)CCNC1CCSC1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)2-3-11-6-1-4-12-5-6/h6,11H,1-5H2
InChIKeyDDVYXMIJXRCETQ-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.03
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)thiolan-3-amine

N-(3,3,3-trifluoropropyl)thiolan-3-amine (PubChem CID 63226293) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)thiolan-3-amine.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)thiolan-3-amine
PubChem CID63226293
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC NameN-(3,3,3-trifluoropropyl)thiolan-3-amine
SMILESFC(F)(F)CCNC1CCSC1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)2-3-11-6-1-4-12-5-6/h6,11H,1-5H2
InChIKeyDDVYXMIJXRCETQ-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The IUPAC name of N-(3,3,3-trifluoropropyl)thiolan-3-amine (CID 63226293) is N-(3,3,3-trifluoropropyl)thiolan-3-amine.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The canonical SMILES for N-(3,3,3-trifluoropropyl)thiolan-3-amine is FC(F)(F)CCNC1CCSC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)thiolan-3-amine?
The InChIKey is DDVYXMIJXRCETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)2-3-11-6-1-4-12-5-6/h6,11H,1-5H2.
What are the key properties of N-(3,3,3-trifluoropropyl)thiolan-3-amine?
N-(3,3,3-trifluoropropyl)thiolan-3-amine has a molecular weight of 199.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)thiolan-3-amine is sourced from PubChem (CID 63226293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).