cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid

C14H21F3O4S2 — CID 175235055

IUPACcyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid
SMILESC1CCCC1.CCC(=O)Cc1cccs1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C8H10OS.C5H10.CHF3O3S/c1-2-7(9)6-8-4-3-5-10-8;1-2-4-5-3-1;2-1(3,4)8(5,6)7/h3-5H,2,6H2,1H3;1-5H2;(H,5,6,7)
InChIKeyKHMWZFUVLSNXNY-UHFFFAOYSA-N
MW374.45 g/mol
LogP4.61
Rot. Bonds3

About cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid

cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid (PubChem CID 175235055) has the molecular formula C14H21F3O4S2 and a molecular weight of 374.45 g/mol. Its IUPAC name is cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namecyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid
PubChem CID175235055
Molecular FormulaC14H21F3O4S2
Molecular Weight374.45 g/mol
Exact Mass374.08
IUPAC Namecyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid
SMILESC1CCCC1.CCC(=O)Cc1cccs1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C8H10OS.C5H10.CHF3O3S/c1-2-7(9)6-8-4-3-5-10-8;1-2-4-5-3-1;2-1(3,4)8(5,6)7/h3-5H,2,6H2,1H3;1-5H2;(H,5,6,7)
InChIKeyKHMWZFUVLSNXNY-UHFFFAOYSA-N
XLogP4.61
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

1-thiophen-2-ylhexane-2,4-dione
CID 86201838
1-methylsulfonyl-3-thiophen-2-ylpropan-2-one
CID 62622490
5,5,5-trifluoro-1-thiophen-2-ylpentan-2-one
CID 64565094
1-oxo-2-thiophen-2-ylethanesulfonic acid
CID 88514707
1-thiophen-2-ylpentane-2,4-dione
CID 154402079
methyl 3-oxo-4-thiophen-2-ylbutanoate
CID 165358561
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 107867609
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
3-amino-3-methyl-1-thiophen-2-ylbutan-2-one
CID 57051031
(Z)-3-ethyl-1-thiophen-2-ylpent-3-en-2-one
CID 103447426
1-(2-fluorophenyl)-3-thiophen-2-ylpropan-2-one
CID 62502351
1-cyclohexyl-2-thiophen-2-ylethanone
CID 61056881

Frequently Asked Questions

What is the IUPAC name of cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid?
The IUPAC name of cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid (CID 175235055) is cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid.
What is the SMILES notation for cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid?
The canonical SMILES for cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid is C1CCCC1.CCC(=O)Cc1cccs1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid?
The InChIKey is KHMWZFUVLSNXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10OS.C5H10.CHF3O3S/c1-2-7(9)6-8-4-3-5-10-8;1-2-4-5-3-1;2-1(3,4)8(5,6)7/h3-5H,2,6H2,1H3;1-5H2;(H,5,6,7).
What are the key properties of cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid?
cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid has a molecular weight of 374.45 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;1-thiophen-2-ylbutan-2-one;trifluoromethanesulfonic acid is sourced from PubChem (CID 175235055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).