(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

C15H17F4NO2 — CID 124607460

IUPAC(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCOc1c(F)cccc1C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H17F4NO2/c1-2-22-13-11(6-3-7-12(13)16)14(21)20-8-4-5-10(9-20)15(17,18)19/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyWOYVUGDYYKHMOR-JTQLQIEISA-N
MW319.30 g/mol
LogP3.64
Rot. Bonds3

About (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone

(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 124607460) has the molecular formula C15H17F4NO2 and a molecular weight of 319.30 g/mol. Its IUPAC name is (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID124607460
Molecular FormulaC15H17F4NO2
Molecular Weight319.30 g/mol
Exact Mass319.12
IUPAC Name(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCOc1c(F)cccc1C(=O)N1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C15H17F4NO2/c1-2-22-13-11(6-3-7-12(13)16)14(21)20-8-4-5-10(9-20)15(17,18)19/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1
InChIKeyWOYVUGDYYKHMOR-JTQLQIEISA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
(3-amino-2-ethoxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211675
2-[4-(2-ethoxy-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 119247688
[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]-(2-ethoxy-3-fluorophenyl)methanone
CID 136521521
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335
(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 39975265
(4-fluorophenyl)-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 42945605
(3-bromo-2-ethoxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 146464564
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 124607460) is (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is CCOc1c(F)cccc1C(=O)N1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is WOYVUGDYYKHMOR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F4NO2/c1-2-22-13-11(6-3-7-12(13)16)14(21)20-8-4-5-10(9-20)15(17,18)19/h3,6-7,10H,2,4-5,8-9H2,1H3/t10-/m0/s1.
What are the key properties of (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 319.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124607460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).