6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine

C11H20F3NS — CID 107166942

IUPAC6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1CCSC1
InChIInChI=1S/C11H20F3NS/c1-9(3-2-5-11(12,13)14)15-7-10-4-6-16-8-10/h9-10,15H,2-8H2,1H3
InChIKeyRCIQSBNMQBZPTH-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.45
Rot. Bonds6

About 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine

6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine (PubChem CID 107166942) has the molecular formula C11H20F3NS and a molecular weight of 255.35 g/mol. Its IUPAC name is 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine
PubChem CID107166942
Molecular FormulaC11H20F3NS
Molecular Weight255.35 g/mol
Exact Mass255.13
IUPAC Name6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine
SMILESCC(CCCC(F)(F)F)NCC1CCSC1
InChIInChI=1S/C11H20F3NS/c1-9(3-2-5-11(12,13)14)15-7-10-4-6-16-8-10/h9-10,15H,2-8H2,1H3
InChIKeyRCIQSBNMQBZPTH-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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Related Compounds

2-(4,4,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 17909984
(2R)-2-(4,4,5,5,5-pentafluoropentylsulfanylmethyl)pyrrolidine
CID 54181494
(2S)-2-(4,4,5,5,5-pentafluoropentylthiomethyl)-pyrrolidine
CID 57069197
2-(1,1,5,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 70118341
2-(1,1,2,2,3-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154973
2-(2,3,4,5,5-Pentafluoropentylsulfanylmethyl)pyrrolidine
CID 88154974
2-Methyl-4-propan-2-yl-5-(trifluoromethyl)-1,3-thiazolidine
CID 140796110
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2,4-Dimethyl-5-[2-(2,2,2-trifluoroethyl)pentyl]-1,3-thiazolidine
CID 143806352
(2R)-2-[2-(4,4,4-trifluorobutylsulfanyl)ethyl]pyrrolidine
CID 144798199
2-[2-(4,4,5,5,5-Pentafluoropentylsulfanyl)ethyl]pyrrolidine
CID 144798217
(2R)-2-[2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethyl]pyrrolidine
CID 144798219

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine (CID 107166942) is 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine is CC(CCCC(F)(F)F)NCC1CCSC1.
What is the InChIKey of 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine?
The InChIKey is RCIQSBNMQBZPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NS/c1-9(3-2-5-11(12,13)14)15-7-10-4-6-16-8-10/h9-10,15H,2-8H2,1H3.
What are the key properties of 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine?
6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-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 6,6,6-trifluoro-N-(thiolan-3-ylmethyl)hexan-2-amine is sourced from PubChem (CID 107166942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).