[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone

C19H25F2NO — CID 86961998

IUPAC[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)CC1CCCN1C(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C19H25F2NO/c1-19(2,3)11-12-6-5-9-22(12)18(23)14-10-13(14)17-15(20)7-4-8-16(17)21/h4,7-8,12-14H,5-6,9-11H2,1-3H3
InChIKeyZNPNTFIPRVIFOY-UHFFFAOYSA-N
MW321.41 g/mol
LogP4.50
Rot. Bonds3

About [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone

[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone (PubChem CID 86961998) has the molecular formula C19H25F2NO and a molecular weight of 321.41 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
PubChem CID86961998
Molecular FormulaC19H25F2NO
Molecular Weight321.41 g/mol
Exact Mass321.19
IUPAC Name[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone
SMILESCC(C)(C)CC1CCCN1C(=O)C1CC1c1c(F)cccc1F
InChIInChI=1S/C19H25F2NO/c1-19(2,3)11-12-6-5-9-22(12)18(23)14-10-13(14)17-15(20)7-4-8-16(17)21/h4,7-8,12-14H,5-6,9-11H2,1-3H3
InChIKeyZNPNTFIPRVIFOY-UHFFFAOYSA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119370659
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119651721
1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 119175952
3-amino-N-[[1-[2-(2-chloro-6-fluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579868
[2-(2,6-difluorophenyl)cyclopropyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111421550
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 129380793
[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99609165
[2-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81482768
[(1R,2R)-2-(2-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95317608
2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178221
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[(1S,2R)-2-(2,5-difluorophenyl)cyclopropyl]methanone
CID 125147004
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone (CID 86961998) is [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone is CC(C)(C)CC1CCCN1C(=O)C1CC1c1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZNPNTFIPRVIFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2NO/c1-19(2,3)11-12-6-5-9-22(12)18(23)14-10-13(14)17-15(20)7-4-8-16(17)21/h4,7-8,12-14H,5-6,9-11H2,1-3H3.
What are the key properties of [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone?
[2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone has a molecular weight of 321.41 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)cyclopropyl]-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 86961998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).