1-(2-fluoro-2-methylpropyl)-4-phenylbenzene

C16H17F — CID 118426459

IUPAC1-(2-fluoro-2-methylpropyl)-4-phenylbenzene
SMILESCC(C)(F)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17F/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyZROBSQPQHQFZHH-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.64
Rot. Bonds3

About 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene

1-(2-fluoro-2-methylpropyl)-4-phenylbenzene (PubChem CID 118426459) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)-4-phenylbenzene
PubChem CID118426459
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name1-(2-fluoro-2-methylpropyl)-4-phenylbenzene
SMILESCC(C)(F)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17F/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyZROBSQPQHQFZHH-UHFFFAOYSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene (CID 118426459) is 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene is CC(C)(F)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene?
The InChIKey is ZROBSQPQHQFZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-16(2,17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene?
1-(2-fluoro-2-methylpropyl)-4-phenylbenzene has a molecular weight of 228.31 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)-4-phenylbenzene is sourced from PubChem (CID 118426459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).