5,5,5-trifluoro-1-methylsulfanylpentan-2-amine

C6H12F3NS — CID 64567433

IUPAC5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
SMILESCSCC(N)CCC(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-11-4-5(10)2-3-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyXFMRNVXAIBLRFG-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.02
Rot. Bonds4

About 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine

5,5,5-trifluoro-1-methylsulfanylpentan-2-amine (PubChem CID 64567433) has the molecular formula C6H12F3NS and a molecular weight of 187.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
PubChem CID64567433
Molecular FormulaC6H12F3NS
Molecular Weight187.23 g/mol
Exact Mass187.06
IUPAC Name5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
SMILESCSCC(N)CCC(F)(F)F
InChIInChI=1S/C6H12F3NS/c1-11-4-5(10)2-3-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyXFMRNVXAIBLRFG-UHFFFAOYSA-N
XLogP2.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,7,7,7-hexafluoroheptan-4-amine
CID 79954768
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
(2R)-1-methylsulfanylpentan-2-amine
CID 94552222
(5,5,5-trifluoro-1-methylsulfanylpentan-2-yl)hydrazine
CID 105213738
5-methyl-1-methylsulfanylhexan-2-amine
CID 62693394
1,1,1-trifluorotetradecan-4-amine
CID 79954086
1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine
CID 115516900
1,1,1-trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
1-methylsulfanyloctan-2-amine
CID 62693396
4,4-dimethyl-1-methylsulfanylpentan-2-amine
CID 117241768
1,1,1-trifluoro-6,8,8-trimethylnonan-4-amine
CID 104992603
6,6,6-trifluoro-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 113327090

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine (CID 64567433) is 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine is CSCC(N)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
The InChIKey is XFMRNVXAIBLRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NS/c1-11-4-5(10)2-3-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine?
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine has a molecular weight of 187.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-methylsulfanylpentan-2-amine is sourced from PubChem (CID 64567433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).