3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C19H31F3O — CID 71083265

IUPAC3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CCC(C2CC3CCC(OC)C(F)C3C(F)C2F)CC1
InChIInChI=1S/C19H31F3O/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(23-2)18(21)16(13)19(22)17(14)20/h11-19H,3-10H2,1-2H3
InChIKeyGUGZOWUXYCLMOK-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.28
Rot. Bonds3

About 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 71083265) has the molecular formula C19H31F3O and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID71083265
Molecular FormulaC19H31F3O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CCC(C2CC3CCC(OC)C(F)C3C(F)C2F)CC1
InChIInChI=1S/C19H31F3O/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(23-2)18(21)16(13)19(22)17(14)20/h11-19H,3-10H2,1-2H3
InChIKeyGUGZOWUXYCLMOK-UHFFFAOYSA-N
XLogP5.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 118181702
2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
CID 118181680
2-[3,4,5-trifluoro-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]oxirane
CID 89258973
1,4-bis(4-ethylcyclohexyl)cyclohexane
CID 21015051
1-ethyl-4-(4-ethylcyclohexyl)cyclohexane
CID 19850408
1,2,8-trifluoro-7-methyl-3-[4-(4-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 59348904
5-[4-(4-ethylcyclohexyl)-2-fluorocyclohexyl]-1,2,3-trifluorocyclohexane
CID 88960394
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[4-[2-(3-fluoro-4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexane
CID 90437373
1-[4-(4-ethylcyclohexyl)cyclohexyl]-2,3-difluoro-4-oct-1-yn-3-yloxycyclohexane
CID 147755825
7-butoxy-1,2,8-trifluoro-3-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140675469
1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane
CID 118191687
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
CID 140565841

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 71083265) is 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1CCC(C2CC3CCC(OC)C(F)C3C(F)C2F)CC1.
What is the InChIKey of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is GUGZOWUXYCLMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31F3O/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(23-2)18(21)16(13)19(22)17(14)20/h11-19H,3-10H2,1-2H3.
What are the key properties of 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 332.45 g/mol, XLogP of 5.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylcyclohexyl)-1,2,8-trifluoro-7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 71083265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).