(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone

C10H16F2N2O — CID 172646215

IUPAC(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCN[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C10H16F2N2O/c1-13-8-2-3-14(6-8)9(15)7-4-10(11,12)5-7/h7-8,13H,2-6H2,1H3/t8-/m0/s1
InChIKeyHUZIHZZWLLLTAL-QMMMGPOBSA-N
MW218.25 g/mol
LogP0.85
Rot. Bonds2

About (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone

(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone (PubChem CID 172646215) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
PubChem CID172646215
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
SMILESCN[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1
InChIInChI=1S/C10H16F2N2O/c1-13-8-2-3-14(6-8)9(15)7-4-10(11,12)5-7/h7-8,13H,2-6H2,1H3/t8-/m0/s1
InChIKeyHUZIHZZWLLLTAL-QMMMGPOBSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,3-difluorocyclohexyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 114226093
[3-(methylamino)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 81468978
1-(3,3-difluorocyclobutanecarbonyl)-4-methylpiperidine-3-carboxylic acid
CID 128922387
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
[(3R)-3-(methylamino)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 172646277
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
cyclopropyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60817866
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
[(3S)-3-aminopiperidin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 166595294
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone (CID 172646215) is (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone is CN[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone?
The InChIKey is HUZIHZZWLLLTAL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-13-8-2-3-14(6-8)9(15)7-4-10(11,12)5-7/h7-8,13H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone?
(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone has a molecular weight of 218.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 172646215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).