1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone

C14H14ClFO — CID 102865627

IUPAC1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1C2CCCC21
InChIInChI=1S/C14H14ClFO/c15-11-6-1-3-8(14(11)16)7-12(17)13-9-4-2-5-10(9)13/h1,3,6,9-10,13H,2,4-5,7H2
InChIKeyNBQGOJMMEKZGGA-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.64
Rot. Bonds3

About 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone

1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 102865627) has the molecular formula C14H14ClFO and a molecular weight of 252.72 g/mol. Its IUPAC name is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
PubChem CID102865627
Molecular FormulaC14H14ClFO
Molecular Weight252.72 g/mol
Exact Mass252.07
IUPAC Name1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone
SMILESO=C(Cc1cccc(Cl)c1F)C1C2CCCC21
InChIInChI=1S/C14H14ClFO/c15-11-6-1-3-8(14(11)16)7-12(17)13-9-4-2-5-10(9)13/h1,3,6,9-10,13H,2,4-5,7H2
InChIKeyNBQGOJMMEKZGGA-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 82802271
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanone
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1-(6-bicyclo[3.1.0]hexanyl)-2-(2-fluoro-3-methoxyphenyl)ethanone
CID 115800338
2-(3-chloro-2-fluorophenyl)-1-(3-methylcyclohexyl)ethanone
CID 82802600
2-(3-chloro-2-fluorophenyl)-1-(oxan-4-yl)ethanone
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CID 102865083
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
2-(3-chloro-2-fluorophenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanone
CID 102865723

Frequently Asked Questions

What is the IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone (CID 102865627) is 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone is O=C(Cc1cccc(Cl)c1F)C1C2CCCC21.
What is the InChIKey of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is NBQGOJMMEKZGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFO/c15-11-6-1-3-8(14(11)16)7-12(17)13-9-4-2-5-10(9)13/h1,3,6,9-10,13H,2,4-5,7H2.
What are the key properties of 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone?
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 252.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 102865627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).