(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone

C18H12BrFO — CID 107949988

IUPAC(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C18H12BrFO/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(19)17(14)20/h2-10H,1H3
InChIKeyDTWDHOSRBZGCCG-UHFFFAOYSA-N
MW343.20 g/mol
LogP5.28
Rot. Bonds2

About (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone

(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone (PubChem CID 107949988) has the molecular formula C18H12BrFO and a molecular weight of 343.20 g/mol. Its IUPAC name is (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
PubChem CID107949988
Molecular FormulaC18H12BrFO
Molecular Weight343.20 g/mol
Exact Mass342.01
IUPAC Name(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone
SMILESCc1ccc2ccccc2c1C(=O)c1cccc(Br)c1F
InChIInChI=1S/C18H12BrFO/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(19)17(14)20/h2-10H,1H3
InChIKeyDTWDHOSRBZGCCG-UHFFFAOYSA-N
XLogP5.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.20
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanone
CID 107981732
(3-bromo-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanone
CID 114020633
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(5-bromo-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430855
(3-amino-2-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 115937369
(3-bromo-2-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 106647432
(3-bromo-2-fluorophenyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 107957391
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
naphthalen-1-yl-(2,3,4,5,6-pentafluorophenyl)methanone
CID 146007709
(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
CID 58180804
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The IUPAC name of (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone (CID 107949988) is (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone is Cc1ccc2ccccc2c1C(=O)c1cccc(Br)c1F.
What is the InChIKey of (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone?
The InChIKey is DTWDHOSRBZGCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFO/c1-11-9-10-12-5-2-3-6-13(12)16(11)18(21)14-7-4-8-15(19)17(14)20/h2-10H,1H3.
What are the key properties of (3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone?
(3-bromo-2-fluorophenyl)-(2-methylnaphthalen-1-yl)methanone has a molecular weight of 343.20 g/mol, XLogP of 5.28, 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)-(2-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 107949988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).