[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone

C17H22FNO2 — CID 72871251

IUPAC[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2(c3ccccc3F)CC2)C[C@]1(C)O
InChIInChI=1S/C17H22FNO2/c1-15(2)10-19(11-16(15,3)21)14(20)17(8-9-17)12-6-4-5-7-13(12)18/h4-7,21H,8-11H2,1-3H3/t16-/m0/s1
InChIKeySXSNBQBMYNFKBA-INIZCTEOSA-N
MW291.37 g/mol
LogP2.48
Rot. Bonds2

About [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone

[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone (PubChem CID 72871251) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
PubChem CID72871251
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone
SMILESCC1(C)CN(C(=O)C2(c3ccccc3F)CC2)C[C@]1(C)O
InChIInChI=1S/C17H22FNO2/c1-15(2)10-19(11-16(15,3)21)14(20)17(8-9-17)12-6-4-5-7-13(12)18/h4-7,21H,8-11H2,1-3H3/t16-/m0/s1
InChIKeySXSNBQBMYNFKBA-INIZCTEOSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The IUPAC name of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone (CID 72871251) is [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The canonical SMILES for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone is CC1(C)CN(C(=O)C2(c3ccccc3F)CC2)C[C@]1(C)O.
What is the InChIKey of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
The InChIKey is SXSNBQBMYNFKBA-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22FNO2/c1-15(2)10-19(11-16(15,3)21)14(20)17(8-9-17)12-6-4-5-7-13(12)18/h4-7,21H,8-11H2,1-3H3/t16-/m0/s1.
What are the key properties of [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone?
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone has a molecular weight of 291.37 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 72871251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).