(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone

C14H15ClFNO — CID 63764552

IUPAC(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C14H15ClFNO/c15-9-7-10-5-6-11(8-9)17(10)14(18)12-3-1-2-4-13(12)16/h1-4,9-11H,5-8H2
InChIKeySKHNJVSOYHNIGX-UHFFFAOYSA-N
MW267.73 g/mol
LogP3.20
Rot. Bonds1

About (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone (PubChem CID 63764552) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone
PubChem CID63764552
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1C2CCC1CC(Cl)C2
InChIInChI=1S/C14H15ClFNO/c15-9-7-10-5-6-11(8-9)17(10)14(18)12-3-1-2-4-13(12)16/h1-4,9-11H,5-8H2
InChIKeySKHNJVSOYHNIGX-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82830242
1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-fluorophenyl)ethanone
CID 63762253
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,4,5-trifluoro-3-hydroxyphenyl)methanone
CID 63762591
(4-chloro-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763941
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-quinoxalin-5-ylmethanone
CID 104615703
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2,6-dimethylphenyl)methanone
CID 114026510
(2-fluorophenyl)-[(1S,5R)-3-(2-fluoro-3-pyridinyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 95799343
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-hydroxyphenyl)methanone
CID 63763664
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
tert-butyl 9-(2-fluorobenzoyl)-3,9-diazabicyclo[4.2.1]nonane-3-carboxylate
CID 137362141
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(4-chloro-2-nitrophenyl)methanone
CID 63762424
(2-fluorophenyl)-[(1R,5R)-3-hydroxy-3-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 98060014

Frequently Asked Questions

What is the IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone (CID 63764552) is (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1C2CCC1CC(Cl)C2.
What is the InChIKey of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone?
The InChIKey is SKHNJVSOYHNIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO/c15-9-7-10-5-6-11(8-9)17(10)14(18)12-3-1-2-4-13(12)16/h1-4,9-11H,5-8H2.
What are the key properties of (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone?
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone has a molecular weight of 267.73 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 63764552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).