5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene

C23H27F — CID 162484414

IUPAC5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene
SMILESC=C(c1ccccc1)c1c(C)cc2c(c1F)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H27F/c1-15-14-18-20(23(5,6)13-12-22(18,3)4)21(24)19(15)16(2)17-10-8-7-9-11-17/h7-11,14H,2,12-13H2,1,3-6H3
InChIKeyWFBNZPVABTWULE-UHFFFAOYSA-N
MW322.47 g/mol
LogP6.54
Rot. Bonds2

About 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene

5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene (PubChem CID 162484414) has the molecular formula C23H27F and a molecular weight of 322.47 g/mol. Its IUPAC name is 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene
PubChem CID162484414
Molecular FormulaC23H27F
Molecular Weight322.47 g/mol
Exact Mass322.21
IUPAC Name5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene
SMILESC=C(c1ccccc1)c1c(C)cc2c(c1F)C(C)(C)CCC2(C)C
InChIInChI=1S/C23H27F/c1-15-14-18-20(23(5,6)13-12-22(18,3)4)21(24)19(15)16(2)17-10-8-7-9-11-17/h7-11,14H,2,12-13H2,1,3-6H3
InChIKeyWFBNZPVABTWULE-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

lithium;4-[1-(1-fluoro-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid;methyl 4-[1-(1-fluoro-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate;hydroxide
CID 163809023
4-[1-[1-fluoro-3-(1-fluoroethyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl]ethenyl]benzoic acid
CID 153339441
4-[1-[5-[[6-[1-(4-carboxyphenyl)ethenyl]-7-(1-fluoropropyl)-1,1-dimethylspiro[2,3-dihydronaphthalene-4,2'-cyclopropane]-1'-yl]methyl]-2'-[[6-[1-(4-carboxyphenyl)ethenyl]-5-fluoro-1,4,4,7-tetramethyl-2,3-dihydronaphthalen-1-yl]methyl]-3,5-dimethylspiro[6,7-dihydronaphthalene-8,1'-cyclopropane]-2-yl]ethenyl]benzoic acid
CID 163526845
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl](11C)benzoic acid
CID 170653108
(E)-3-[3-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]phenyl]prop-2-enoic acid
CID 21185962
4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzenesulfonic acid
CID 118343110
4-(3-ethoxy-1-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
CID 143004648
(2E)-4-[3-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)phenyl]penta-2,4-dienoic acid
CID 22345428
benzene;1,1,4,4-tetramethyl-2,3-dihydronaphthalene
CID 173031980
methyl 2-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoate
CID 21185946
N-(3-methylphenyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 90348625
5,5,8,8-tetramethyl-3-phenyl-6,7-dihydronaphthalen-1-ol
CID 22592640

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene?
The IUPAC name of 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene (CID 162484414) is 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene.
What is the SMILES notation for 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene?
The canonical SMILES for 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene is C=C(c1ccccc1)c1c(C)cc2c(c1F)C(C)(C)CCC2(C)C.
What is the InChIKey of 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene?
The InChIKey is WFBNZPVABTWULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F/c1-15-14-18-20(23(5,6)13-12-22(18,3)4)21(24)19(15)16(2)17-10-8-7-9-11-17/h7-11,14H,2,12-13H2,1,3-6H3.
What are the key properties of 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene?
5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene has a molecular weight of 322.47 g/mol, XLogP of 6.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,1,4,4,7-pentamethyl-6-(1-phenylethenyl)-2,3-dihydronaphthalene is sourced from PubChem (CID 162484414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).