3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene

C23H16F4 — CID 156721399

IUPAC3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene
SMILESCc1ccc2cc(Cc3cc4ccc(C)cc4c(F)c3F)c(F)c(F)c2c1
InChIInChI=1S/C23H16F4/c1-12-3-5-14-9-16(20(24)22(26)18(14)7-12)11-17-10-15-6-4-13(2)8-19(15)23(27)21(17)25/h3-10H,11H2,1-2H3
InChIKeyRFIQBPQTTKGUSS-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.76
Rot. Bonds2

About 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene

3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene (PubChem CID 156721399) has the molecular formula C23H16F4 and a molecular weight of 368.37 g/mol. Its IUPAC name is 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene.

Molecular Properties

Compound Name3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene
PubChem CID156721399
Molecular FormulaC23H16F4
Molecular Weight368.37 g/mol
Exact Mass368.12
IUPAC Name3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene
SMILESCc1ccc2cc(Cc3cc4ccc(C)cc4c(F)c3F)c(F)c(F)c2c1
InChIInChI=1S/C23H16F4/c1-12-3-5-14-9-16(20(24)22(26)18(14)7-12)11-17-10-15-6-4-13(2)8-19(15)23(27)21(17)25/h3-10H,11H2,1-2H3
InChIKeyRFIQBPQTTKGUSS-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
3-chloro-1-fluoro-2,7-dimethylnaphthalene
CID 146207185
2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
CID 54504008
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
1-fluoro-7-methylisoquinoline
CID 150517558
azane;1-fluoro-7-methylnaphthalene
CID 174703926
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
ethane;6-methylphenanthren-3-amine
CID 144939359
2,7-dimethylphenanthrene;ethane
CID 91503011
3-methyl-10-[[10-(phenanthren-3-ylmethyl)phenanthren-3-yl]methyl]phenanthrene
CID 123325766
1-ethyl-7-methylnaphthalene
CID 12778771

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene?
The IUPAC name of 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene (CID 156721399) is 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene.
What is the SMILES notation for 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene?
The canonical SMILES for 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene is Cc1ccc2cc(Cc3cc4ccc(C)cc4c(F)c3F)c(F)c(F)c2c1.
What is the InChIKey of 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene?
The InChIKey is RFIQBPQTTKGUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4/c1-12-3-5-14-9-16(20(24)22(26)18(14)7-12)11-17-10-15-6-4-13(2)8-19(15)23(27)21(17)25/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene?
3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene has a molecular weight of 368.37 g/mol, XLogP of 6.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene is sourced from PubChem (CID 156721399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).