1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene

C16H15ClF2 — CID 63433916

IUPAC1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
SMILESCC(C)(c1ccccc1)C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C16H15ClF2/c1-16(2,11-6-4-3-5-7-11)15(17)13-9-8-12(18)10-14(13)19/h3-10,15H,1-2H3
InChIKeyFWEQABMXOPFWJL-UHFFFAOYSA-N
MW280.75 g/mol
LogP5.22
Rot. Bonds3

About 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene

1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene (PubChem CID 63433916) has the molecular formula C16H15ClF2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
PubChem CID63433916
Molecular FormulaC16H15ClF2
Molecular Weight280.75 g/mol
Exact Mass280.08
IUPAC Name1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
SMILESCC(C)(c1ccccc1)C(Cl)c1ccc(F)cc1F
InChIInChI=1S/C16H15ClF2/c1-16(2,11-6-4-3-5-7-11)15(17)13-9-8-12(18)10-14(13)19/h3-10,15H,1-2H3
InChIKeyFWEQABMXOPFWJL-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.75
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2-chloro-4-(1-chloro-2-methyl-2-phenylpropyl)-5-fluorobenzene
CID 105399802
2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
CID 63427388
2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
CID 79743215
1-[chloro-(2,4-difluorophenyl)methyl]-2,4-difluorobenzene
CID 61086405
1-(4-fluoro-2-methylphenyl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63086405
1-(1-bromo-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
CID 103304101
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
2,4-difluoro-1-[(2R)-3-methylbutan-2-yl]benzene
CID 121459140
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
CID 63434775
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
N-[1-(2,4-difluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024335
1-[chloro-[4-(2-methylbutan-2-yl)phenyl]methyl]-2,4-difluorobenzene
CID 66260161

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene?
The IUPAC name of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene (CID 63433916) is 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene is CC(C)(c1ccccc1)C(Cl)c1ccc(F)cc1F.
What is the InChIKey of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene?
The InChIKey is FWEQABMXOPFWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2/c1-16(2,11-6-4-3-5-7-11)15(17)13-9-8-12(18)10-14(13)19/h3-10,15H,1-2H3.
What are the key properties of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene?
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene has a molecular weight of 280.75 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene is sourced from PubChem (CID 63433916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).