2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene

C16H16F2 — CID 155367036

IUPAC2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cc2ccccc2F)cc1F
InChIInChI=1S/C16H16F2/c1-11(2)14-8-7-12(10-16(14)18)9-13-5-3-4-6-15(13)17/h3-8,10-11H,9H2,1-2H3
InChIKeyLFNSNHHHMXVJGM-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.68
Rot. Bonds3

About 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene

2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene (PubChem CID 155367036) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
PubChem CID155367036
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cc2ccccc2F)cc1F
InChIInChI=1S/C16H16F2/c1-11(2)14-8-7-12(10-16(14)18)9-13-5-3-4-6-15(13)17/h3-8,10-11H,9H2,1-2H3
InChIKeyLFNSNHHHMXVJGM-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 142307020
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4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
CID 59139797
1-[[3,4-di(propan-2-yl)phenyl]methyl]-2,3-di(propan-2-yl)benzene
CID 157084325
2-[[4-(methylamino)-3-propan-2-ylphenyl]methyl]phenol
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1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
2-[(4-fluoro-3-propan-2-ylphenyl)methyl]-1,3-dimethylbenzene
CID 141114297
1-(4-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066122
4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium
CID 71463436
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
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1-(4-fluoro-3-propan-2-ylphenyl)-N-methylmethanamine
CID 63887333
1-[4-bromo-2-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 82975373

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene?
The IUPAC name of 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene (CID 155367036) is 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene.
What is the SMILES notation for 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene?
The canonical SMILES for 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene is CC(C)c1ccc(Cc2ccccc2F)cc1F.
What is the InChIKey of 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene?
The InChIKey is LFNSNHHHMXVJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-11(2)14-8-7-12(10-16(14)18)9-13-5-3-4-6-15(13)17/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene?
2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene has a molecular weight of 246.30 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene is sourced from PubChem (CID 155367036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).