(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone

C17H14ClFO — CID 115813620

IUPAC(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccccc1C1CCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFO/c18-14-9-4-10-15(19)16(14)17(20)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2
InChIKeySCDOKOATWAONBH-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.98
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone

(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone (PubChem CID 115813620) has the molecular formula C17H14ClFO and a molecular weight of 288.75 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
PubChem CID115813620
Molecular FormulaC17H14ClFO
Molecular Weight288.75 g/mol
Exact Mass288.07
IUPAC Name(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone
SMILESO=C(c1ccccc1C1CCC1)c1c(F)cccc1Cl
InChIInChI=1S/C17H14ClFO/c18-14-9-4-10-15(19)16(14)17(20)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2
InChIKeySCDOKOATWAONBH-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601820
(2-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanone
CID 114601779
(2,6-dichlorophenyl)-(2-fluorophenyl)methanone
CID 13127035
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
(2-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methanone
CID 105134655
2-chloro-6-cyclopentylbenzoic acid
CID 90041585
2-chloro-6-cyclopentylbenzoyl chloride
CID 90041864
(4-bromo-3-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 115813675
(3-bromo-5-fluorophenyl)-(2-cyclobutylphenyl)methanone
CID 114601946
2-chloro-6-fluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450751
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
2-chloro-N-(2,3-dihydro-1H-inden-1-yl)-6-fluorobenzamide
CID 42889076

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone (CID 115813620) is (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone is O=C(c1ccccc1C1CCC1)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone?
The InChIKey is SCDOKOATWAONBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFO/c18-14-9-4-10-15(19)16(14)17(20)13-8-2-1-7-12(13)11-5-3-6-11/h1-2,4,7-11H,3,5-6H2.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone?
(2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone has a molecular weight of 288.75 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-cyclobutylphenyl)methanone is sourced from PubChem (CID 115813620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).