4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene

C17H17F — CID 142057923

IUPAC4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene
SMILESCC1(C)C[C@H]1c1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C17H17F/c1-17(2)11-15(17)13-8-9-16(18)14(10-13)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3/t15-/m0/s1
InChIKeyBXLLYYJKXZDARH-HNNXBMFYSA-N
MW240.32 g/mol
LogP5.01
Rot. Bonds2

About 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene

4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene (PubChem CID 142057923) has the molecular formula C17H17F and a molecular weight of 240.32 g/mol. Its IUPAC name is 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene.

Molecular Properties

Compound Name4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene
PubChem CID142057923
Molecular FormulaC17H17F
Molecular Weight240.32 g/mol
Exact Mass240.13
IUPAC Name4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene
SMILESCC1(C)C[C@H]1c1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C17H17F/c1-17(2)11-15(17)13-8-9-16(18)14(10-13)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3/t15-/m0/s1
InChIKeyBXLLYYJKXZDARH-HNNXBMFYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.32
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene?
The IUPAC name of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene (CID 142057923) is 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene.
What is the SMILES notation for 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene?
The canonical SMILES for 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene is CC1(C)C[C@H]1c1ccc(F)c(-c2ccccc2)c1.
What is the InChIKey of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene?
The InChIKey is BXLLYYJKXZDARH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17F/c1-17(2)11-15(17)13-8-9-16(18)14(10-13)12-6-4-3-5-7-12/h3-10,15H,11H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene?
4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene has a molecular weight of 240.32 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-2,2-dimethylcyclopropyl]-1-fluoro-2-phenylbenzene is sourced from PubChem (CID 142057923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).