2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene

C17H11F3 — CID 139847087

IUPAC2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C17H11F3/c1-10-2-5-14(15(18)6-10)12-4-3-11-8-16(19)17(20)9-13(11)7-12/h2-9H,1H3
InChIKeyMFBACZMTZCIESR-UHFFFAOYSA-N
MW272.27 g/mol
LogP5.23
Rot. Bonds1

About 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene

2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene (PubChem CID 139847087) has the molecular formula C17H11F3 and a molecular weight of 272.27 g/mol. Its IUPAC name is 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene.

Molecular Properties

Compound Name2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene
PubChem CID139847087
Molecular FormulaC17H11F3
Molecular Weight272.27 g/mol
Exact Mass272.08
IUPAC Name2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C17H11F3/c1-10-2-5-14(15(18)6-10)12-4-3-11-8-16(19)17(20)9-13(11)7-12/h2-9H,1H3
InChIKeyMFBACZMTZCIESR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.27
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
2-fluoro-4-(2-fluoro-4-methylphenyl)phenol
CID 53219309
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
5-(2-fluoro-4-methylphenyl)-1,2,3-trimethylbenzene
CID 20683371
2-methyl-6-(6-methylnaphthalen-2-yl)anthracene
CID 140780842
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
4-(2-fluoro-4-methylphenyl)-N,N-dimethylaniline
CID 166120430
1,3-difluoro-2-[3-fluoro-4-(2-fluoro-4-methylphenyl)phenyl]-5-methylbenzene
CID 137449218

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene?
The IUPAC name of 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene (CID 139847087) is 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene.
What is the SMILES notation for 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene?
The canonical SMILES for 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene is Cc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene?
The InChIKey is MFBACZMTZCIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3/c1-10-2-5-14(15(18)6-10)12-4-3-11-8-16(19)17(20)9-13(11)7-12/h2-9H,1H3.
What are the key properties of 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene?
2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene has a molecular weight of 272.27 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene is sourced from PubChem (CID 139847087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).