4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene

C14H21F — CID 59139797

IUPAC4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(CC(C)(C)C)cc1F
InChIInChI=1S/C14H21F/c1-10(2)12-7-6-11(8-13(12)15)9-14(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyIORLZGMJEAXVHE-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.54
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene

4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene (PubChem CID 59139797) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
PubChem CID59139797
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(CC(C)(C)C)cc1F
InChIInChI=1S/C14H21F/c1-10(2)12-7-6-11(8-13(12)15)9-14(3,4)5/h6-8,10H,9H2,1-5H3
InChIKeyIORLZGMJEAXVHE-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene (CID 59139797) is 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene is CC(C)c1ccc(CC(C)(C)C)cc1F.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene?
The InChIKey is IORLZGMJEAXVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-10(2)12-7-6-11(8-13(12)15)9-14(3,4)5/h6-8,10H,9H2,1-5H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene?
4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene has a molecular weight of 208.32 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-fluoro-1-propan-2-ylbenzene is sourced from PubChem (CID 59139797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).