2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one

C12H20FNO — CID 80695192

IUPAC2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CCF
InChIInChI=1S/C12H20FNO/c13-7-9-14-8-3-5-11(14)10-4-1-2-6-12(10)15/h10-11H,1-9H2
InChIKeyCRAMTGHUHBIQJF-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.18
Rot. Bonds3

About 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 80695192) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID80695192
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CCF
InChIInChI=1S/C12H20FNO/c13-7-9-14-8-3-5-11(14)10-4-1-2-6-12(10)15/h10-11H,1-9H2
InChIKeyCRAMTGHUHBIQJF-UHFFFAOYSA-N
XLogP2.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 80695192) is 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1CCF.
What is the InChIKey of 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is CRAMTGHUHBIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c13-7-9-14-8-3-5-11(14)10-4-1-2-6-12(10)15/h10-11H,1-9H2.
What are the key properties of 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 213.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 80695192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).