1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene

C16H16F2 — CID 177076550

IUPAC1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H16F2/c1-11(2)14-6-3-12(4-7-14)9-13-5-8-15(17)16(18)10-13/h3-8,10-11H,9H2,1-2H3
InChIKeyMVVSGHZEIFFVJS-UHFFFAOYSA-N
MW246.30 g/mol
LogP4.68
Rot. Bonds3

About 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene

1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene (PubChem CID 177076550) has the molecular formula C16H16F2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
PubChem CID177076550
Molecular FormulaC16H16F2
Molecular Weight246.30 g/mol
Exact Mass246.12
IUPAC Name1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene
SMILESCC(C)c1ccc(Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C16H16F2/c1-11(2)14-6-3-12(4-7-14)9-13-5-8-15(17)16(18)10-13/h3-8,10-11H,9H2,1-2H3
InChIKeyMVVSGHZEIFFVJS-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

1,2-difluoro-4-propan-2-ylbenzene;propane
CID 143774679
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene
CID 157456603
1,2-difluoro-4-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;methane
CID 157271017
2-fluoro-4-methyl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 165003126
trifluoro-[(4-propan-2-ylphenyl)methyl]phosphanium
CID 89412455
2-tert-butyl-7-[(3,4-difluorophenyl)methyl]naphthalene
CID 134222446
[(1R)-1-(3,4-difluorophenyl)ethyl]-[[4-[[[(1R)-1-(3,4-difluorophenyl)ethyl]azaniumyl]methyl]phenyl]methyl]azanium
CID 8637967
4-bromo-1-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzene
CID 114672595
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(3,4-difluorophenyl)-4-methylpentane-2,3-diol
CID 103456481
1-[1-[(3,4-difluorophenyl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 82919683
1-(3,4-difluorophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 43480546

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene?
The IUPAC name of 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene (CID 177076550) is 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene is CC(C)c1ccc(Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene?
The InChIKey is MVVSGHZEIFFVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2/c1-11(2)14-6-3-12(4-7-14)9-13-5-8-15(17)16(18)10-13/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene?
1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene 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 1,2-difluoro-4-[(4-propan-2-ylphenyl)methyl]benzene is sourced from PubChem (CID 177076550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).