1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone

C19H19F3O2 — CID 90026270

IUPAC1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C19H19F3O2/c1-12(23)13-2-3-15-11-18(7-4-14(15)10-13)24-17-8-5-16(6-9-17)19(20,21)22/h2-4,7,10-11,16-17H,5-6,8-9H2,1H3
InChIKeyQULYCKNQIIZAIU-UHFFFAOYSA-N
MW336.35 g/mol
LogP5.54
Rot. Bonds3

About 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone

1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone (PubChem CID 90026270) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone
PubChem CID90026270
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone
SMILESCC(=O)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C19H19F3O2/c1-12(23)13-2-3-15-11-18(7-4-14(15)10-13)24-17-8-5-16(6-9-17)19(20,21)22/h2-4,7,10-11,16-17H,5-6,8-9H2,1H3
InChIKeyQULYCKNQIIZAIU-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone?
The IUPAC name of 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone (CID 90026270) is 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone is CC(=O)c1ccc2cc(OC3CCC(C(F)(F)F)CC3)ccc2c1.
What is the InChIKey of 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone?
The InChIKey is QULYCKNQIIZAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-12(23)13-2-3-15-11-18(7-4-14(15)10-13)24-17-8-5-16(6-9-17)19(20,21)22/h2-4,7,10-11,16-17H,5-6,8-9H2,1H3.
What are the key properties of 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone?
1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone has a molecular weight of 336.35 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethanone is sourced from PubChem (CID 90026270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).