4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine

C11H20F3NS — CID 105156370

IUPAC4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C11H20F3NS/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h9-10,15H,2-8H2,1H3
InChIKeyPCMCZOMPKNHRRM-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds6

About 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine

4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine (PubChem CID 105156370) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine
PubChem CID105156370
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine
SMILESCCCNC(CCC(F)(F)F)C1CCSC1
InChIInChI=1S/C11H20F3NS/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h9-10,15H,2-8H2,1H3
InChIKeyPCMCZOMPKNHRRM-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine (CID 105156370) is 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine is CCCNC(CCC(F)(F)F)C1CCSC1.
What is the InChIKey of 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine?
The InChIKey is PCMCZOMPKNHRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h9-10,15H,2-8H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine?
4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine has a molecular weight of 255.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-propyl-1-(thiolan-3-yl)butan-1-amine is sourced from PubChem (CID 105156370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).