2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone

C12H20FNO — CID 68744327

IUPAC2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCC(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
InChIKeyAJUKYAMKONEDHD-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.53
Rot. Bonds2

About 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone

2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone (PubChem CID 68744327) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
PubChem CID68744327
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCC(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
InChIKeyAJUKYAMKONEDHD-UHFFFAOYSA-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

Analyze 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(14-Methylhexadecanoyl)pyrrolidine
CID 6430518
3-Cyclopentyl-1-(pyrrolidin-1-yl)propan-1-one (1)
CID 5053787
Cyclohexanecarboxamide, N,N-dipropyl-
CID 152793
Cyclohexanecarboxamide, N,N-diethyl-
CID 94872
N,N-Diethylcyclohexanepropanamide
CID 95064
7-Cyclohexyl-1-pyrrolidin-1-ylheptan-1-one
CID 155538030
Cyclohexyl(pyrrolidin-1-yl)methanone
CID 5087171
Cyclohexanecarboxamide, N,N-dibutyl-
CID 533209
1-(3,7,11,15-Tetramethylhexadecanoyl)pyrrolidine
CID 574656
(14S)-14-methyl-1-(pyrrolidin-1-yl)hexadecan-1-one
CID 11163114
N,N-Diethylcyclohexaneacetamide
CID 125722
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone (CID 68744327) is 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone is O=C(CC1CCCCC1)N1CCC(F)C1.
What is the InChIKey of 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
The InChIKey is AJUKYAMKONEDHD-UHFFFAOYSA-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.
What are the key properties of 2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone?
2-cyclohexyl-1-(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-(3-fluoropyrrolidin-1-yl)ethanone is sourced from PubChem (CID 68744327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).