2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde

C19H18ClF3O2 — CID 141401075

IUPAC2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde
SMILESO=CCc1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(Cl)c2c1
InChIInChI=1S/C19H18ClF3O2/c20-18-16-11-12(9-10-24)1-2-13(16)3-8-17(18)25-15-6-4-14(5-7-15)19(21,22)23/h1-3,8,10-11,14-15H,4-7,9H2
InChIKeyJCQFQDKRARJSNQ-UHFFFAOYSA-N
MW370.80 g/mol
LogP5.73
Rot. Bonds4

About 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde

2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde (PubChem CID 141401075) has the molecular formula C19H18ClF3O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde
PubChem CID141401075
Molecular FormulaC19H18ClF3O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde
SMILESO=CCc1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(Cl)c2c1
InChIInChI=1S/C19H18ClF3O2/c20-18-16-11-12(9-10-24)1-2-13(16)3-8-17(18)25-15-6-4-14(5-7-15)19(21,22)23/h1-3,8,10-11,14-15H,4-7,9H2
InChIKeyJCQFQDKRARJSNQ-UHFFFAOYSA-N
XLogP5.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.80
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde?
The IUPAC name of 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde (CID 141401075) is 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde.
What is the SMILES notation for 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde?
The canonical SMILES for 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde is O=CCc1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(Cl)c2c1.
What is the InChIKey of 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde?
The InChIKey is JCQFQDKRARJSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3O2/c20-18-16-11-12(9-10-24)1-2-13(16)3-8-17(18)25-15-6-4-14(5-7-15)19(21,22)23/h1-3,8,10-11,14-15H,4-7,9H2.
What are the key properties of 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde?
2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde has a molecular weight of 370.80 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde is sourced from PubChem (CID 141401075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).