2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene

C22H20F2 — CID 134273599

IUPAC2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)cc3F)cc2F)cc1
InChIInChI=1S/C22H20F2/c1-15-3-6-17(7-4-15)12-20-10-8-18(14-22(20)24)13-19-9-5-16(2)11-21(19)23/h3-11,14H,12-13H2,1-2H3
InChIKeyNTZMMULZAGGZPV-UHFFFAOYSA-N
MW322.40 g/mol
LogP5.76
Rot. Bonds4

About 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene

2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene (PubChem CID 134273599) has the molecular formula C22H20F2 and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene.

Molecular Properties

Compound Name2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
PubChem CID134273599
Molecular FormulaC22H20F2
Molecular Weight322.40 g/mol
Exact Mass322.15
IUPAC Name2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
SMILESCc1ccc(Cc2ccc(Cc3ccc(C)cc3F)cc2F)cc1
InChIInChI=1S/C22H20F2/c1-15-3-6-17(7-4-15)12-20-10-8-18(14-22(20)24)13-19-9-5-16(2)11-21(19)23/h3-11,14H,12-13H2,1-2H3
InChIKeyNTZMMULZAGGZPV-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
2,3-difluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene
CID 134273654
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 165003126
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
5-methyl-2-[(4-methylphenyl)methyl]benzoic acid
CID 15740404
N-[(2-fluoro-4-methylphenyl)methyl]ethanamine
CID 61033995
1,4-ditert-butyl-2,5-bis[(4-methylphenyl)methyl]benzene
CID 174009855
2-fluoro-4-methyl-1-(2-methylpropyl)benzene
CID 59283432
1-[2-fluoro-4-[(4-methylphenyl)methyl]phenyl]ethanamine
CID 165144963

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
The IUPAC name of 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene (CID 134273599) is 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene.
What is the SMILES notation for 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
The canonical SMILES for 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene is Cc1ccc(Cc2ccc(Cc3ccc(C)cc3F)cc2F)cc1.
What is the InChIKey of 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
The InChIKey is NTZMMULZAGGZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2/c1-15-3-6-17(7-4-15)12-20-10-8-18(14-22(20)24)13-19-9-5-16(2)11-21(19)23/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene?
2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene has a molecular weight of 322.40 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methyl]-4-methylbenzene is sourced from PubChem (CID 134273599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).