(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C17H14BrFO — CID 106644792

IUPAC(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1cccc(Br)c1F)C1CCCc2ccccc21
InChIInChI=1S/C17H14BrFO/c18-15-10-4-9-14(16(15)19)17(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9-10,13H,3,6,8H2
InChIKeyNFPVOIFLEHDLNE-UHFFFAOYSA-N
MW333.20 g/mol
LogP4.89
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 106644792) has the molecular formula C17H14BrFO and a molecular weight of 333.20 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID106644792
Molecular FormulaC17H14BrFO
Molecular Weight333.20 g/mol
Exact Mass332.02
IUPAC Name(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESO=C(c1cccc(Br)c1F)C1CCCc2ccccc21
InChIInChI=1S/C17H14BrFO/c18-15-10-4-9-14(16(15)19)17(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9-10,13H,3,6,8H2
InChIKeyNFPVOIFLEHDLNE-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.20
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
(2-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410298
(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 82796890
(5-bromo-4-chlorothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 80531579
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
(3-chloro-2-fluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanone
CID 79746341
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
(3-bromo-2-fluorophenyl)-[(2S)-oxolan-2-yl]methanone
CID 138750762
(3-bromo-2-fluorophenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 106544565
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
(3-bromo-2-fluorophenyl)-piperidin-3-ylmethanone
CID 106647090

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 106644792) is (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is O=C(c1cccc(Br)c1F)C1CCCc2ccccc21.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is NFPVOIFLEHDLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrFO/c18-15-10-4-9-14(16(15)19)17(20)13-8-3-6-11-5-1-2-7-12(11)13/h1-2,4-5,7,9-10,13H,3,6,8H2.
What are the key properties of (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 333.20 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 106644792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).