(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

C11H12F2N2O2 — CID 79773812

IUPAC(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C11H12F2N2O2/c12-7-1-2-8(14)10(13)9(7)11(17)15-4-3-6(16)5-15/h1-2,6,16H,3-5,14H2
InChIKeyMIGODHDYTWAZTP-UHFFFAOYSA-N
MW242.22 g/mol
LogP0.75
Rot. Bonds1

About (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone

(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 79773812) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID79773812
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Name(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
SMILESNc1ccc(F)c(C(=O)N2CCC(O)C2)c1F
InChIInChI=1S/C11H12F2N2O2/c12-7-1-2-8(14)10(13)9(7)11(17)15-4-3-6(16)5-15/h1-2,6,16H,3-5,14H2
InChIKeyMIGODHDYTWAZTP-UHFFFAOYSA-N
XLogP0.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
(3-amino-2,6-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79772761
1-(3-amino-2,6-difluorobenzoyl)piperidine-3-carboxamide
CID 79768262
(3-amino-2,6-difluorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 79759271
(4-amino-3-fluorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895188
(3-amino-2,6-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 79767871
(5-amino-2-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62917475
(3-amino-2,6-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 79772828
(3-hydroxypyrrolidin-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 65100423
(3-amino-2,6-difluorophenyl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 79759552
(3-amino-2,6-difluorophenyl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 79773364
(3-bromo-4-fluorophenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 71922611

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone (CID 79773812) is (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is Nc1ccc(F)c(C(=O)N2CCC(O)C2)c1F.
What is the InChIKey of (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is MIGODHDYTWAZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c12-7-1-2-8(14)10(13)9(7)11(17)15-4-3-6(16)5-15/h1-2,6,16H,3-5,14H2.
What are the key properties of (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone?
(3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 242.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,6-difluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 79773812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).