6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene

C18H16F2 — CID 150489928

IUPAC6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene
SMILESCCc1ccc(-c2ccc3c(c2)C=CCC3(F)F)cc1
InChIInChI=1S/C18H16F2/c1-2-13-5-7-14(8-6-13)15-9-10-17-16(12-15)4-3-11-18(17,19)20/h3-10,12H,2,11H2,1H3
InChIKeyHVOUFLNEVBPPNK-UHFFFAOYSA-N
MW270.32 g/mol
LogP5.42
Rot. Bonds2

About 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene

6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene (PubChem CID 150489928) has the molecular formula C18H16F2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene.

Molecular Properties

Compound Name6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene
PubChem CID150489928
Molecular FormulaC18H16F2
Molecular Weight270.32 g/mol
Exact Mass270.12
IUPAC Name6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene
SMILESCCc1ccc(-c2ccc3c(c2)C=CCC3(F)F)cc1
InChIInChI=1S/C18H16F2/c1-2-13-5-7-14(8-6-13)15-9-10-17-16(12-15)4-3-11-18(17,19)20/h3-10,12H,2,11H2,1H3
InChIKeyHVOUFLNEVBPPNK-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.32
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-bromophenyl)-1,1-dimethyl-2H-naphthalene
CID 70259352
1,1-difluoro-6-(4-pentylphenyl)naphthalen-2-one
CID 139850097
1,1-difluoro-6-(4-propylphenyl)-2H-naphthalen-2-ol
CID 139850207
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
1,4-diethylbenzene;ethane
CID 91207141
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
CID 176702040
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
ethane;1-ethyl-4-phenylbenzene;methane
CID 142852812
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
5-(4-ethylphenyl)-2-fluoroaniline
CID 82078593
1,4-diethylbenzene;ethane;methane
CID 166131756

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene?
The IUPAC name of 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene (CID 150489928) is 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene.
What is the SMILES notation for 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene?
The canonical SMILES for 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene is CCc1ccc(-c2ccc3c(c2)C=CCC3(F)F)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene?
The InChIKey is HVOUFLNEVBPPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2/c1-2-13-5-7-14(8-6-13)15-9-10-17-16(12-15)4-3-11-18(17,19)20/h3-10,12H,2,11H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene?
6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene has a molecular weight of 270.32 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-1,1-difluoro-2H-naphthalene is sourced from PubChem (CID 150489928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).