1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine

C10H20F3NS — CID 115516900

IUPAC1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine
SMILESCCC(C)SCC(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-3-8(2)15-7-9(14)5-4-6-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyJZDGRMATXVDIMU-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.58
Rot. Bonds7

About 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine

1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine (PubChem CID 115516900) has the molecular formula C10H20F3NS and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine
PubChem CID115516900
Molecular FormulaC10H20F3NS
Molecular Weight243.34 g/mol
Exact Mass243.13
IUPAC Name1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine
SMILESCCC(C)SCC(N)CCCC(F)(F)F
InChIInChI=1S/C10H20F3NS/c1-3-8(2)15-7-9(14)5-4-6-10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyJZDGRMATXVDIMU-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-ylsulfanyl-5,5,5-trifluoropentan-2-ol
CID 65136348
1-butan-2-ylsulfanyl-6,6,6-trifluoro-N-propylhexan-2-amine
CID 115516904
1-butan-2-ylsulfanyl-5-methylsulfonylpentan-2-amine
CID 65136361
1,1,1-trifluorotetradecan-4-amine
CID 79954086
5,5,5-trifluoro-1-methylsulfanylpentan-2-amine
CID 64567433
6,6,6-trifluoro-1-(4-methylphenyl)sulfanylhexan-2-amine
CID 113327090
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475
1-propan-2-ylsulfanyldodecan-2-amine
CID 65131587
1-butan-2-ylsulfanyl-3-methylbutan-2-amine
CID 65136124
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671
1,1,1-trifluoro-5-(1-iodoethyl)undecane
CID 142693981
6-bromo-1,1,1-trifluoro-5-methyloctane
CID 116536314

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine?
The IUPAC name of 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine (CID 115516900) is 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine is CCC(C)SCC(N)CCCC(F)(F)F.
What is the InChIKey of 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine?
The InChIKey is JZDGRMATXVDIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NS/c1-3-8(2)15-7-9(14)5-4-6-10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine?
1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 115516900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).