2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene

C20H22F4O — CID 58840172

IUPAC2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
SMILESCCCC1CCC(c2ccc3c(F)c(OC(F)F)c(F)cc3c2)CC1
InChIInChI=1S/C20H22F4O/c1-2-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)11-17(21)19(18(16)22)25-20(23)24/h8-13,20H,2-7H2,1H3
InChIKeyMLBPAGDCGCVTGN-UHFFFAOYSA-N
MW354.39 g/mol
LogP6.79
Rot. Bonds5

About 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene

2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene (PubChem CID 58840172) has the molecular formula C20H22F4O and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
PubChem CID58840172
Molecular FormulaC20H22F4O
Molecular Weight354.39 g/mol
Exact Mass354.16
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
SMILESCCCC1CCC(c2ccc3c(F)c(OC(F)F)c(F)cc3c2)CC1
InChIInChI=1S/C20H22F4O/c1-2-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)11-17(21)19(18(16)22)25-20(23)24/h8-13,20H,2-7H2,1H3
InChIKeyMLBPAGDCGCVTGN-UHFFFAOYSA-N
XLogP6.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.39
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855248
2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
CID 139855726
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
CID 139862287
1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139851594
1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
CID 139861191
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856331
6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-difluoro-2-(trifluoromethoxy)naphthalene
CID 22383597

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene (CID 58840172) is 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene is CCCC1CCC(c2ccc3c(F)c(OC(F)F)c(F)cc3c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene?
The InChIKey is MLBPAGDCGCVTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4O/c1-2-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)11-17(21)19(18(16)22)25-20(23)24/h8-13,20H,2-7H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene?
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene has a molecular weight of 354.39 g/mol, XLogP of 6.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 58840172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).