1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene

C22H26F2O — CID 139862287

IUPAC1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
SMILESC=Cc1ccc2cc(C3CCC(CCC)CC3)ccc2c1OC(F)F
InChIInChI=1S/C22H26F2O/c1-3-5-15-6-8-17(9-7-15)18-12-13-20-19(14-18)11-10-16(4-2)21(20)25-22(23)24/h4,10-15,17,22H,2-3,5-9H2,1H3
InChIKeyOOENXJIQWAQJNW-UHFFFAOYSA-N
MW344.45 g/mol
LogP7.16
Rot. Bonds6

About 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene

1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene (PubChem CID 139862287) has the molecular formula C22H26F2O and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
PubChem CID139862287
Molecular FormulaC22H26F2O
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
SMILESC=Cc1ccc2cc(C3CCC(CCC)CC3)ccc2c1OC(F)F
InChIInChI=1S/C22H26F2O/c1-3-5-15-6-8-17(9-7-15)18-12-13-20-19(14-18)11-10-16(4-2)21(20)25-22(23)24/h4,10-15,17,22H,2-3,5-9H2,1H3
InChIKeyOOENXJIQWAQJNW-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxy)-6-(4-pentylcyclohexyl)-2-[(E)-prop-1-enyl]naphthalene
CID 139864018
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
CID 139861191
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene
CID 20808220
2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863118
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139862461
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139851594
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
2-(4-propylcyclohexyl)-6-(trifluoromethyl)naphthalene
CID 20500274
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-pentylcyclohexyl)naphthalene
CID 139870936

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene (CID 139862287) is 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene is C=Cc1ccc2cc(C3CCC(CCC)CC3)ccc2c1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene?
The InChIKey is OOENXJIQWAQJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2O/c1-3-5-15-6-8-17(9-7-15)18-12-13-20-19(14-18)11-10-16(4-2)21(20)25-22(23)24/h4,10-15,17,22H,2-3,5-9H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene?
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene has a molecular weight of 344.45 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 139862287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).