N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine

C9H12F3NS — CID 130678188

IUPACN-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESCCC(C)Nc1ccsc1C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-3-6(2)13-7-4-5-14-8(7)9(10,11)12/h4-6,13H,3H2,1-2H3
InChIKeySDIMEPJYUCHIIY-UHFFFAOYSA-N
MW223.26 g/mol
LogP3.98
Rot. Bonds3

About N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine

N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine (PubChem CID 130678188) has the molecular formula C9H12F3NS and a molecular weight of 223.26 g/mol. Its IUPAC name is N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine
PubChem CID130678188
Molecular FormulaC9H12F3NS
Molecular Weight223.26 g/mol
Exact Mass223.06
IUPAC NameN-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine
SMILESCCC(C)Nc1ccsc1C(F)(F)F
InChIInChI=1S/C9H12F3NS/c1-3-6(2)13-7-4-5-14-8(7)9(10,11)12/h4-6,13H,3H2,1-2H3
InChIKeySDIMEPJYUCHIIY-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The IUPAC name of N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine (CID 130678188) is N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine.
What is the SMILES notation for N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The canonical SMILES for N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine is CCC(C)Nc1ccsc1C(F)(F)F.
What is the InChIKey of N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
The InChIKey is SDIMEPJYUCHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NS/c1-3-6(2)13-7-4-5-14-8(7)9(10,11)12/h4-6,13H,3H2,1-2H3.
What are the key properties of N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine?
N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine has a molecular weight of 223.26 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(trifluoromethyl)thiophen-3-amine is sourced from PubChem (CID 130678188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).