2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone

C12H20FNO — CID 68744328

IUPAC2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CC[C@H](F)C1
InChIInChI=1S/C12H20FNO/c13-11-6-7-14(9-11)12(15)8-10-4-2-1-3-5-10/h10-11H,1-9H2/t11-/m0/s1
InChIKeyAJUKYAMKONEDHD-NSHDSACASA-N
MW213.30 g/mol
LogP2.53
Rot. Bonds2

About 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone

2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone (PubChem CID 68744328) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone
PubChem CID68744328
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CC[C@H](F)C1
InChIInChI=1S/C12H20FNO/c13-11-6-7-14(9-11)12(15)8-10-4-2-1-3-5-10/h10-11H,1-9H2/t11-/m0/s1
InChIKeyAJUKYAMKONEDHD-NSHDSACASA-N
XLogP2.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone (CID 68744328) is 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone is O=C(CC1CCCCC1)N1CC[C@H](F)C1.
What is the InChIKey of 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone?
The InChIKey is AJUKYAMKONEDHD-NSHDSACASA-N. The full InChI is InChI=1S/C12H20FNO/c13-11-6-7-14(9-11)12(15)8-10-4-2-1-3-5-10/h10-11H,1-9H2/t11-/m0/s1.
What are the key properties of 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone?
2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone has a molecular weight of 213.30 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[(3S)-3-fluoropyrrolidin-1-yl]ethanone is sourced from PubChem (CID 68744328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).