N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine

C10H18F3NS — CID 104925143

IUPACN-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine
SMILESCC(CCCC(F)(F)F)NC1CCSC1
InChIInChI=1S/C10H18F3NS/c1-8(3-2-5-10(11,12)13)14-9-4-6-15-7-9/h8-9,14H,2-7H2,1H3
InChIKeyDXTPECGBJXNOSY-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.20
Rot. Bonds5

About N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine

N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine (PubChem CID 104925143) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine.

Molecular Properties

Compound NameN-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine
PubChem CID104925143
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC NameN-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine
SMILESCC(CCCC(F)(F)F)NC1CCSC1
InChIInChI=1S/C10H18F3NS/c1-8(3-2-5-10(11,12)13)14-9-4-6-15-7-9/h8-9,14H,2-7H2,1H3
InChIKeyDXTPECGBJXNOSY-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine?
The IUPAC name of N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine (CID 104925143) is N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine.
What is the SMILES notation for N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine?
The canonical SMILES for N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine is CC(CCCC(F)(F)F)NC1CCSC1.
What is the InChIKey of N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine?
The InChIKey is DXTPECGBJXNOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c1-8(3-2-5-10(11,12)13)14-9-4-6-15-7-9/h8-9,14H,2-7H2,1H3.
What are the key properties of N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine?
N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine has a molecular weight of 241.32 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6,6-trifluorohexan-2-yl)thiolan-3-amine is sourced from PubChem (CID 104925143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).