7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone

C14H14BrFO — CID 106647448

IUPAC7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cccc(Br)c1F)C1C2CCCCC21
InChIInChI=1S/C14H14BrFO/c15-11-7-3-6-10(13(11)16)14(17)12-8-4-1-2-5-9(8)12/h3,6-9,12H,1-2,4-5H2
InChIKeyHSBKEFMDGRQPKF-UHFFFAOYSA-N
MW297.17 g/mol
LogP4.21
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone

7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone (PubChem CID 106647448) has the molecular formula C14H14BrFO and a molecular weight of 297.17 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
PubChem CID106647448
Molecular FormulaC14H14BrFO
Molecular Weight297.17 g/mol
Exact Mass296.02
IUPAC Name7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
SMILESO=C(c1cccc(Br)c1F)C1C2CCCCC21
InChIInChI=1S/C14H14BrFO/c15-11-7-3-6-10(13(11)16)14(17)12-8-4-1-2-5-9(8)12/h3,6-9,12H,1-2,4-5H2
InChIKeyHSBKEFMDGRQPKF-UHFFFAOYSA-N
XLogP4.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.17
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
CID 138750762
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090
6-bicyclo[3.1.0]hexanyl-(2,3,4-trifluorophenyl)methanone
CID 114971689
(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 106644792
3-bromo-N-cyclopentyloxy-2-fluorobenzamide
CID 106544780
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
CID 114971292
3-bromo-2-fluoro-N-(2-hydroxycycloheptyl)benzamide
CID 107953230
(3-bromo-2-fluorophenyl)-(3-methylsulfonylcyclohexyl)methanone
CID 107957262
N-[(1R,2R)-2-aminocyclohexyl]-3-bromo-2-fluorobenzamide
CID 114020422
(3-bromo-2-fluorophenyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 106547486
3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 106547829
1-(3-bromo-2-fluorobenzoyl)piperidine-2-carboxylic acid
CID 107948932

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone (CID 106647448) is 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone is O=C(c1cccc(Br)c1F)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone?
The InChIKey is HSBKEFMDGRQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFO/c15-11-7-3-6-10(13(11)16)14(17)12-8-4-1-2-5-9(8)12/h3,6-9,12H,1-2,4-5H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone?
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone has a molecular weight of 297.17 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone is sourced from PubChem (CID 106647448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).