5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene

C21H26F4O — CID 18411070

IUPAC5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene
SMILESCCCC1CCC(C2=CC=C3C(=CC=CC3(F)OC(F)(F)CF)C2)CC1
InChIInChI=1S/C21H26F4O/c1-2-4-15-6-8-16(9-7-15)17-10-11-19-18(13-17)5-3-12-20(19,23)26-21(24,25)14-22/h3,5,10-12,15-16H,2,4,6-9,13-14H2,1H3
InChIKeyWESDGPCTOSWJHZ-UHFFFAOYSA-N
MW370.43 g/mol
LogP6.59
Rot. Bonds6

About 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene

5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene (PubChem CID 18411070) has the molecular formula C21H26F4O and a molecular weight of 370.43 g/mol. Its IUPAC name is 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene.

Molecular Properties

Compound Name5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene
PubChem CID18411070
Molecular FormulaC21H26F4O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene
SMILESCCCC1CCC(C2=CC=C3C(=CC=CC3(F)OC(F)(F)CF)C2)CC1
InChIInChI=1S/C21H26F4O/c1-2-4-15-6-8-16(9-7-15)17-10-11-19-18(13-17)5-3-12-20(19,23)26-21(24,25)14-22/h3,5,10-12,15-16H,2,4,6-9,13-14H2,1H3
InChIKeyWESDGPCTOSWJHZ-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.43
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene?
The IUPAC name of 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene (CID 18411070) is 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene.
What is the SMILES notation for 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene?
The canonical SMILES for 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene is CCCC1CCC(C2=CC=C3C(=CC=CC3(F)OC(F)(F)CF)C2)CC1.
What is the InChIKey of 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene?
The InChIKey is WESDGPCTOSWJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F4O/c1-2-4-15-6-8-16(9-7-15)17-10-11-19-18(13-17)5-3-12-20(19,23)26-21(24,25)14-22/h3,5,10-12,15-16H,2,4,6-9,13-14H2,1H3.
What are the key properties of 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene?
5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene has a molecular weight of 370.43 g/mol, XLogP of 6.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-propylcyclohexyl)-5-(1,1,2-trifluoroethoxy)-1H-naphthalene is sourced from PubChem (CID 18411070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).