1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole

C13H20F2N2 — CID 69048277

IUPAC1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CC[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C13H20F2N2/c1-10(2)12-16-6-8-17(12)7-4-11-3-5-13(14,15)9-11/h6,8,10-11H,3-5,7,9H2,1-2H3/t11-/m0/s1
InChIKeyAAUVPCMPCVXKAZ-NSHDSACASA-N
MW242.31 g/mol
LogP3.83
Rot. Bonds4

About 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole

1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole (PubChem CID 69048277) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole.

Molecular Properties

Compound Name1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole
PubChem CID69048277
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1CC[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C13H20F2N2/c1-10(2)12-16-6-8-17(12)7-4-11-3-5-13(14,15)9-11/h6,8,10-11H,3-5,7,9H2,1-2H3/t11-/m0/s1
InChIKeyAAUVPCMPCVXKAZ-NSHDSACASA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole?
The IUPAC name of 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole (CID 69048277) is 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole.
What is the SMILES notation for 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole?
The canonical SMILES for 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole is CC(C)c1nccn1CC[C@@H]1CCC(F)(F)C1.
What is the InChIKey of 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole?
The InChIKey is AAUVPCMPCVXKAZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20F2N2/c1-10(2)12-16-6-8-17(12)7-4-11-3-5-13(14,15)9-11/h6,8,10-11H,3-5,7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole?
1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole has a molecular weight of 242.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole is sourced from PubChem (CID 69048277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).