1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene

C16H14ClF3 — CID 103303605

IUPAC1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
SMILESCC(C)(c1ccccc1)C(Cl)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H14ClF3/c1-16(2,10-6-4-3-5-7-10)15(17)11-8-13(19)14(20)9-12(11)18/h3-9,15H,1-2H3
InChIKeyFIUKPOIBHSJYEG-UHFFFAOYSA-N
MW298.74 g/mol
LogP5.36
Rot. Bonds3

About 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene

1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene (PubChem CID 103303605) has the molecular formula C16H14ClF3 and a molecular weight of 298.74 g/mol. Its IUPAC name is 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene.

Molecular Properties

Compound Name1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
PubChem CID103303605
Molecular FormulaC16H14ClF3
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
SMILESCC(C)(c1ccccc1)C(Cl)c1cc(F)c(F)cc1F
InChIInChI=1S/C16H14ClF3/c1-16(2,10-6-4-3-5-7-10)15(17)11-8-13(19)14(20)9-12(11)18/h3-9,15H,1-2H3
InChIKeyFIUKPOIBHSJYEG-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.74
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(1-chloro-2-methyl-2-phenylpropyl)-2,4-difluorobenzene
CID 63433916
1-bromo-2-chloro-4-(1-chloro-2-methyl-2-phenylpropyl)-5-fluorobenzene
CID 105399802
1-(1-bromo-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene
CID 103304101
2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
CID 63427388
1-bromo-5-(1-chloro-2-methyl-2-phenylpropyl)-2-fluoro-4-methoxybenzene
CID 103396341
2-bromo-4-(1-chloro-2-methyl-2-phenylpropyl)-1-fluorobenzene
CID 79743215
2-(1-chloro-2-methyl-2-phenylpropyl)-1-methoxy-4-methylbenzene
CID 63434775
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
4-(1-chloro-2-methyl-2-phenylpropyl)-1,2-dimethylbenzene
CID 63427409
2-(1-chloro-2-methyl-2-phenylpropyl)-1-ethoxy-4-methylbenzene
CID 63444274
(3-fluoro-2-methylbutan-2-yl)benzene
CID 69013653
1-(2,3-difluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 63989633

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene?
The IUPAC name of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene (CID 103303605) is 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene.
What is the SMILES notation for 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene?
The canonical SMILES for 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene is CC(C)(c1ccccc1)C(Cl)c1cc(F)c(F)cc1F.
What is the InChIKey of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene?
The InChIKey is FIUKPOIBHSJYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3/c1-16(2,10-6-4-3-5-7-10)15(17)11-8-13(19)14(20)9-12(11)18/h3-9,15H,1-2H3.
What are the key properties of 1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene?
1-(1-chloro-2-methyl-2-phenylpropyl)-2,4,5-trifluorobenzene has a molecular weight of 298.74 g/mol, XLogP of 5.36, 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)-2,4,5-trifluorobenzene is sourced from PubChem (CID 103303605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).