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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Related Compounds

2,2,2-trifluoro-1-[8-pyrrolidin-1-yl-7-(2,2,2-trifluoroacetyl)quinolin-5-yl]ethanone
CID 10916138
(2Z)-6,7,8-trihydroxy-3-oxo-2-[2,2,2-trifluoro-1-(1-piperidin-1-ylnaphthalen-2-yl)ethylidene]octanenitrile
CID 166480435
N-piperidin-1-ylbenzo[e]azulene-3-carboxamide
CID 69039955
(1-aminonaphthalen-2-yl)-pyrrolidin-1-ylmethanone
CID 59534009
azane;N-[4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]phenyl]-1-hydroxynaphthalene-2-carboxamide;molecular hydrogen;bis(2,2,2-trifluoroacetamide);hydrochloride
CID 158854620
carbanide;europium;2,2,2-trifluoro-1-(1-hydroxyanthracen-2-yl)ethanone
CID 20798412
1-sulfanylnaphthalene-2-carboxylic acid
CID 22336604
2,2,2-trifluoro-1-[1-[2-[N-[(1R)-1-phenylethyl]-C-(trifluoromethyl)carbonimidoyl]naphthalen-1-yl]naphthalen-2-yl]ethanone
CID 102441221
4-pyrrolidin-1-ylnaphthalene-1-carboxylic acid
CID 11564970
1-(2-oxoimidazolidin-1-yl)naphthalene-2-carboxylic acid
CID 142627774
1-pyrrolidin-1-ylisoquinoline-3-carboxylic acid
CID 43343329
1-(2,2,2-trifluoroacetyl)benzo[h]quinolin-2-one
CID 175841143

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).