1,2-difluoro-6-(4-methylphenyl)naphthalene

C17H12F2 — CID 70883391

IUPAC1,2-difluoro-6-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3c(F)c(F)ccc3c2)cc1
InChIInChI=1S/C17H12F2/c1-11-2-4-12(5-3-11)13-6-8-15-14(10-13)7-9-16(18)17(15)19/h2-10H,1H3
InChIKeyVTLIVEMTBCVRFV-UHFFFAOYSA-N
MW254.28 g/mol
LogP5.09
Rot. Bonds1

About 1,2-difluoro-6-(4-methylphenyl)naphthalene

1,2-difluoro-6-(4-methylphenyl)naphthalene (PubChem CID 70883391) has the molecular formula C17H12F2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1,2-difluoro-6-(4-methylphenyl)naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-(4-methylphenyl)naphthalene
PubChem CID70883391
Molecular FormulaC17H12F2
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name1,2-difluoro-6-(4-methylphenyl)naphthalene
SMILESCc1ccc(-c2ccc3c(F)c(F)ccc3c2)cc1
InChIInChI=1S/C17H12F2/c1-11-2-4-12(5-3-11)13-6-8-15-14(10-13)7-9-16(18)17(15)19/h2-10H,1H3
InChIKeyVTLIVEMTBCVRFV-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.28
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
7,20-bis(4-methylphenyl)hexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411439
1,2-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-methylphenyl)ethynyl]phenyl]naphthalene
CID 139846851
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
1,3-dimethyl-7-(4-methylphenyl)naphthalene
CID 160612509
2-bromo-1-fluoro-4-(4-methylphenyl)benzene
CID 115049308
6-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139847137
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
heptadecacyclo[59.3.1.12,6.113,17.118,22.129,33.134,38.145,49.150,54.05,10.09,14.021,26.025,30.037,42.041,46.053,58.057,62]doheptaconta-1(65),2(72),3,5,7,9,11,13,15,17(71),18(70),19,21,23,25,27,29,31,33(69),34(68),35,37,39,41,43,45,47,49(67),50(66),51,53,55,57,59,61,63-hexatriacontaene
CID 164669270
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
6-[4-(difluoromethyl)phenyl]-1,2,3-trifluoronaphthalene
CID 151175004
12-ethyl-7,17-bis(4-methylphenyl)-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14(19),15,17,20-decaene
CID 118858071

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-(4-methylphenyl)naphthalene?
The IUPAC name of 1,2-difluoro-6-(4-methylphenyl)naphthalene (CID 70883391) is 1,2-difluoro-6-(4-methylphenyl)naphthalene.
What is the SMILES notation for 1,2-difluoro-6-(4-methylphenyl)naphthalene?
The canonical SMILES for 1,2-difluoro-6-(4-methylphenyl)naphthalene is Cc1ccc(-c2ccc3c(F)c(F)ccc3c2)cc1.
What is the InChIKey of 1,2-difluoro-6-(4-methylphenyl)naphthalene?
The InChIKey is VTLIVEMTBCVRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2/c1-11-2-4-12(5-3-11)13-6-8-15-14(10-13)7-9-16(18)17(15)19/h2-10H,1H3.
What are the key properties of 1,2-difluoro-6-(4-methylphenyl)naphthalene?
1,2-difluoro-6-(4-methylphenyl)naphthalene has a molecular weight of 254.28 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-6-(4-methylphenyl)naphthalene is sourced from PubChem (CID 70883391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).