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

C21H23F5O — CID 139855248

IUPAC1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCC1CCC(c2ccc3c(F)c(OCC(F)(F)F)c(F)cc3c2)CC1
InChIInChI=1S/C21H23F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(22)20(19(17)23)27-12-21(24,25)26/h8-11,13-14H,2-7,12H2,1H3
InChIKeyFUDFPTLQUIKOCJ-UHFFFAOYSA-N
MW386.40 g/mol
LogP7.13
Rot. Bonds5

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

1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139855248) has the molecular formula C21H23F5O and a molecular weight of 386.40 g/mol. Its IUPAC name is 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139855248
Molecular FormulaC21H23F5O
Molecular Weight386.40 g/mol
Exact Mass386.17
IUPAC Name1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCC1CCC(c2ccc3c(F)c(OCC(F)(F)F)c(F)cc3c2)CC1
InChIInChI=1S/C21H23F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(22)20(19(17)23)27-12-21(24,25)26/h8-11,13-14H,2-7,12H2,1H3
InChIKeyFUDFPTLQUIKOCJ-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.40
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855660
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-(4-heptylcyclohexyl)naphthalene
CID 139873201
1,3-difluoro-6-[4-(4-propylcyclohexyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856331
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-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384206
6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-difluoro-2-(trifluoromethoxy)naphthalene
CID 22383597
1,3-difluoro-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(trifluoromethoxy)naphthalene
CID 22384538
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene (CID 139855248) is 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene is CCCC1CCC(c2ccc3c(F)c(OCC(F)(F)F)c(F)cc3c2)CC1.
What is the InChIKey of 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is FUDFPTLQUIKOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-18(22)20(19(17)23)27-12-21(24,25)26/h8-11,13-14H,2-7,12H2,1H3.
What are the key properties of 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 386.40 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139855248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).