(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone

C13H20F3NO — CID 153329609

IUPAC(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCC(F)(F)C2)CC1F
InChIInChI=1S/C13H20F3NO/c1-8(2)10-6-17(7-11(10)14)12(18)9-3-4-13(15,16)5-9/h8-11H,3-7H2,1-2H3
InChIKeyUPJNYQRHNUFJKB-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.87
Rot. Bonds2

About (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone

(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 153329609) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID153329609
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC Name(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CN(C(=O)C2CCC(F)(F)C2)CC1F
InChIInChI=1S/C13H20F3NO/c1-8(2)10-6-17(7-11(10)14)12(18)9-3-4-13(15,16)5-9/h8-11H,3-7H2,1-2H3
InChIKeyUPJNYQRHNUFJKB-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3,3-difluorocyclopentyl)methanone
CID 114226111
[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 155261572
[4-(1-chloroethyl)piperidin-1-yl]-(3,3-difluorocyclohexyl)methanone
CID 114226677
(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 114226093
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(3,3-difluorocyclohexyl)methanone
CID 114226504
(3,3-difluorocyclopentyl)-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 145332421
ethyl 1-(3,3-difluorocyclopentanecarbonyl)-4-hydroxypiperidine-4-carboxylate
CID 136539242
(3,3-difluorocyclopentyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 114189006
3,3-difluoro-N-methylcyclopentane-1-carboxamide
CID 118333876
(4,4-difluorocyclohexyl)-(3-methylpiperidin-1-yl)methanone
CID 91070510
2-chloro-N-[(3R,4S)-1-(3,3-difluorocyclopentanecarbonyl)-4-fluoropyrrolidin-3-yl]-4-fluorobenzamide
CID 175918436
(4-fluorophenyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone
CID 139364672

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone (CID 153329609) is (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CN(C(=O)C2CCC(F)(F)C2)CC1F.
What is the InChIKey of (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is UPJNYQRHNUFJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-8(2)10-6-17(7-11(10)14)12(18)9-3-4-13(15,16)5-9/h8-11H,3-7H2,1-2H3.
What are the key properties of (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone?
(3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)-(3-fluoro-4-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 153329609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).