(1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone

C9H8F3NOS — CID 130847425

IUPAC(1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESNC1(C(=O)c2ccc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)6-2-1-5(15-6)7(14)8(13)3-4-8/h1-2H,3-4,13H2
InChIKeyASBCFGYTHLSKMU-UHFFFAOYSA-N
MW235.23 g/mol
LogP2.44
Rot. Bonds2

About (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone

(1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone (PubChem CID 130847425) has the molecular formula C9H8F3NOS and a molecular weight of 235.23 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone
PubChem CID130847425
Molecular FormulaC9H8F3NOS
Molecular Weight235.23 g/mol
Exact Mass235.03
IUPAC Name(1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone
SMILESNC1(C(=O)c2ccc(C(F)(F)F)s2)CC1
InChIInChI=1S/C9H8F3NOS/c10-9(11,12)6-2-1-5(15-6)7(14)8(13)3-4-8/h1-2H,3-4,13H2
InChIKeyASBCFGYTHLSKMU-UHFFFAOYSA-N
XLogP2.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone (CID 130847425) is (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone is NC1(C(=O)c2ccc(C(F)(F)F)s2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone?
The InChIKey is ASBCFGYTHLSKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NOS/c10-9(11,12)6-2-1-5(15-6)7(14)8(13)3-4-8/h1-2H,3-4,13H2.
What are the key properties of (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone?
(1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone has a molecular weight of 235.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[5-(trifluoromethyl)thiophen-2-yl]methanone is sourced from PubChem (CID 130847425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).