[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone

C16H14F3NOS — CID 2740127

IUPAC[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)c(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)14-12(11-6-2-1-3-7-11)10-13(22-14)15(21)20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9H2
InChIKeyISYCGCNWSRFJKQ-UHFFFAOYSA-N
MW325.35 g/mol
LogP4.67
Rot. Bonds2

About [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone

[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 2740127) has the molecular formula C16H14F3NOS and a molecular weight of 325.35 g/mol. Its IUPAC name is [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID2740127
Molecular FormulaC16H14F3NOS
Molecular Weight325.35 g/mol
Exact Mass325.07
IUPAC Name[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(-c2ccccc2)c(C(F)(F)F)s1)N1CCCC1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)14-12(11-6-2-1-3-7-11)10-13(22-14)15(21)20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9H2
InChIKeyISYCGCNWSRFJKQ-UHFFFAOYSA-N
XLogP4.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 2740127) is [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc(-c2ccccc2)c(C(F)(F)F)s1)N1CCCC1.
What is the InChIKey of [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ISYCGCNWSRFJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c17-16(18,19)14-12(11-6-2-1-3-7-11)10-13(22-14)15(21)20-8-4-5-9-20/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone?
[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2740127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).