1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane

C27H35F3 — CID 91266439

IUPAC1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
SMILESCF.CF.CF.Cc1ccc(CCc2ccc(CCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26.3CH3F/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;3*1-2/h3-10,15-18H,11-14H2,1-2H3;3*1H3
InChIKeyNCDHUDXYYJMQRD-UHFFFAOYSA-N
MW416.57 g/mol
LogP7.63
Rot. Bonds6

About 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane

1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane (PubChem CID 91266439) has the molecular formula C27H35F3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane.

Molecular Properties

Compound Name1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
PubChem CID91266439
Molecular FormulaC27H35F3
Molecular Weight416.57 g/mol
Exact Mass416.27
IUPAC Name1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
SMILESCF.CF.CF.Cc1ccc(CCc2ccc(CCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26.3CH3F/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;3*1-2/h3-10,15-18H,11-14H2,1-2H3;3*1H3
InChIKeyNCDHUDXYYJMQRD-UHFFFAOYSA-N
XLogP7.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-4-methylbenzene;1-fluoro-4-[2-(4-methylphenyl)ethyl]benzene
CID 144561335
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-iodo-4-[2-(4-methylphenyl)ethyl]benzene
CID 118487182
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1-methyl-4-[2-(4-nitrophenyl)ethyl]benzene
CID 70154715
1-methyl-4-propylbenzene;trifluoroalumane
CID 174704537
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
2,3-difluoro-4-[2-(4-methylphenyl)ethyl]aniline
CID 142384590

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane?
The IUPAC name of 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane (CID 91266439) is 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane.
What is the SMILES notation for 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane?
The canonical SMILES for 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane is CF.CF.CF.Cc1ccc(CCc2ccc(CCc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane?
The InChIKey is NCDHUDXYYJMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26.3CH3F/c1-19-3-7-21(8-4-19)11-13-23-15-17-24(18-16-23)14-12-22-9-5-20(2)6-10-22;3*1-2/h3-10,15-18H,11-14H2,1-2H3;3*1H3.
What are the key properties of 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane?
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane has a molecular weight of 416.57 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane is sourced from PubChem (CID 91266439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).