2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone

C16H14F3NO — CID 177471607

IUPAC2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone
SMILESO=C(c1ccc2ccccc2c1N1CCCC1)C(F)(F)F
InChIInChI=1S/C16H14F3NO/c17-16(18,19)15(21)13-8-7-11-5-1-2-6-12(11)14(13)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2
InChIKeyRLMNJNVIQVQTAX-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.18
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone

2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone (PubChem CID 177471607) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone
PubChem CID177471607
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone
SMILESO=C(c1ccc2ccccc2c1N1CCCC1)C(F)(F)F
InChIInChI=1S/C16H14F3NO/c17-16(18,19)15(21)13-8-7-11-5-1-2-6-12(11)14(13)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2
InChIKeyRLMNJNVIQVQTAX-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone (CID 177471607) is 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone is O=C(c1ccc2ccccc2c1N1CCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone?
The InChIKey is RLMNJNVIQVQTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)15(21)13-8-7-11-5-1-2-6-12(11)14(13)20-9-3-4-10-20/h1-2,5-8H,3-4,9-10H2.
What are the key properties of 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone?
2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone has a molecular weight of 293.29 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-pyrrolidin-1-ylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 177471607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).