5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene

C17H17F3 — CID 156728260

IUPAC5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene
SMILESCc1cc(-c2c(C)cc(C(C)(F)F)cc2C)ccc1F
InChIInChI=1S/C17H17F3/c1-10-7-13(5-6-15(10)18)16-11(2)8-14(9-12(16)3)17(4,19)20/h5-9H,1-4H3
InChIKeyBNJLJCKRPBYCKV-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.53
Rot. Bonds2

About 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene

5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene (PubChem CID 156728260) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene
PubChem CID156728260
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene
SMILESCc1cc(-c2c(C)cc(C(C)(F)F)cc2C)ccc1F
InChIInChI=1S/C17H17F3/c1-10-7-13(5-6-15(10)18)16-11(2)8-14(9-12(16)3)17(4,19)20/h5-9H,1-4H3
InChIKeyBNJLJCKRPBYCKV-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-2-(4-fluoro-3-methylphenyl)-3-methylbenzene
CID 66251813
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
2-(4-fluoro-3-methylphenyl)propan-2-ol
CID 20785410
ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)
CID 160858375
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
2-tert-butyl-4-(4-fluoro-3-methylphenyl)-1-methoxybenzene
CID 176729624
3,7,11-tris(4-fluoro-3-methylphenyl)-2,4,6,8,10,12,13-heptazatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
CID 67476609
3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 116839617
2-[4-(4-fluoro-3,5-dimethylphenyl)-3,5-dimethylphenyl]-1,3-dimethyl-5-(4-methylphenyl)benzene
CID 59133253
(2S)-2-(4-fluoro-3-methylphenyl)butan-2-ol
CID 94601210
1,2-difluoro-3-(4-fluoro-3-methylphenyl)benzene
CID 134627237
2-(4-fluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 62786947

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene (CID 156728260) is 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene is Cc1cc(-c2c(C)cc(C(C)(F)F)cc2C)ccc1F.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene?
The InChIKey is BNJLJCKRPBYCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-10-7-13(5-6-15(10)18)16-11(2)8-14(9-12(16)3)17(4,19)20/h5-9H,1-4H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene?
5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene has a molecular weight of 278.32 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(4-fluoro-3-methylphenyl)-1,3-dimethylbenzene is sourced from PubChem (CID 156728260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).