1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine

C12H15F6NOS — CID 102721766

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1sccc1C
InChIInChI=1S/C12H15F6NOS/c1-3-7(19)8(9-6(2)4-5-21-9)20-10(11(13,14)15)12(16,17)18/h4-5,7-8,10H,3,19H2,1-2H3
InChIKeyUGNHRLKNUOWEBX-UHFFFAOYSA-N
MW335.31 g/mol
LogP4.34
Rot. Bonds5

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine (PubChem CID 102721766) has the molecular formula C12H15F6NOS and a molecular weight of 335.31 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
PubChem CID102721766
Molecular FormulaC12H15F6NOS
Molecular Weight335.31 g/mol
Exact Mass335.08
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine
SMILESCCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1sccc1C
InChIInChI=1S/C12H15F6NOS/c1-3-7(19)8(9-6(2)4-5-21-9)20-10(11(13,14)15)12(16,17)18/h4-5,7-8,10H,3,19H2,1-2H3
InChIKeyUGNHRLKNUOWEBX-UHFFFAOYSA-N
XLogP4.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine with MolForge

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Related Compounds

1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-1-(3-methylthiophen-2-yl)butan-2-amine
CID 112587258
1-(4-chloro-3,5-dimethylphenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63460480
1-(3-methylthiophen-2-yl)-1-(2-propoxyethoxy)butan-2-amine
CID 55232648
1-(4-chloro-3-fluorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 82716704
1-(3-methoxy-3-methylbutoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 106664979
1-(2,5-dichlorophenoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 63457801
1-(4-bromothiophen-2-yl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butan-2-amine
CID 102721664
1-(cyclopentylmethoxy)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 66322795
2-[2-[2-amino-1-(3-methylthiophen-2-yl)butoxy]phenyl]ethanol
CID 107712111
1-(3-methylthiophen-2-yl)-1-(oxolan-3-yloxy)butan-2-amine
CID 63557622
(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 103693064

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine (CID 102721766) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine is CCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1sccc1C.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
The InChIKey is UGNHRLKNUOWEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F6NOS/c1-3-7(19)8(9-6(2)4-5-21-9)20-10(11(13,14)15)12(16,17)18/h4-5,7-8,10H,3,19H2,1-2H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine has a molecular weight of 335.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1-(3-methylthiophen-2-yl)butan-2-amine is sourced from PubChem (CID 102721766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).