ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene

C16H18F2 — CID 143449254

IUPACethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
SMILESCC.Cc1cc(F)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C14H12F2.C2H6/c1-9-3-4-12(16)8-14(9)13-6-5-11(15)7-10(13)2;1-2/h3-8H,1-2H3;1-2H3
InChIKeyMVOKGVNZKYIBLM-UHFFFAOYSA-N
MW248.32 g/mol
LogP5.27
Rot. Bonds1

About ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene

ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene (PubChem CID 143449254) has the molecular formula C16H18F2 and a molecular weight of 248.32 g/mol. Its IUPAC name is ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene.

Molecular Properties

Compound Nameethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
PubChem CID143449254
Molecular FormulaC16H18F2
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
SMILESCC.Cc1cc(F)ccc1-c1cc(F)ccc1C
InChIInChI=1S/C14H12F2.C2H6/c1-9-3-4-12(16)8-14(9)13-6-5-11(15)7-10(13)2;1-2/h3-8H,1-2H3;1-2H3
InChIKeyMVOKGVNZKYIBLM-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.32
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-(5-fluoro-2-methylphenyl)-3-methylphenyl]methanamine
CID 66479818
3-(4-fluoro-2-methylphenyl)-4-methylbenzoic acid
CID 81476549
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245
4-fluoro-2-(2-fluorophenyl)-1-methylbenzene
CID 46313938
5-chloro-2-(5-fluoro-2-methylphenyl)aniline
CID 81274733
4-fluoro-1-methyl-2-phenylbenzene
CID 21350138
2-(5-fluoro-2-methylphenyl)-1,3,5-trimethylbenzene
CID 91665782
[4-fluoro-2-(5-fluoro-2-methylphenyl)phenyl]methanamine
CID 114060188
1,4-dichloro-2-(5-fluoro-2-methylphenyl)benzene
CID 118990356
4-(5-fluoro-2-methylphenyl)-3,6-dimethylpyridazine
CID 164557692
5-fluoro-2-(2,4,5-trimethylphenyl)phenol
CID 83129935

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene?
The IUPAC name of ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene (CID 143449254) is ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene.
What is the SMILES notation for ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene?
The canonical SMILES for ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene is CC.Cc1cc(F)ccc1-c1cc(F)ccc1C.
What is the InChIKey of ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene?
The InChIKey is MVOKGVNZKYIBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2.C2H6/c1-9-3-4-12(16)8-14(9)13-6-5-11(15)7-10(13)2;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene?
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene has a molecular weight of 248.32 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene is sourced from PubChem (CID 143449254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).