(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

C18H16F2O — CID 82796890

IUPAC(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CCCc3ccccc32)c1F
InChIInChI=1S/C18H16F2O/c1-11-9-10-15(19)16(17(11)20)18(21)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChIKeyNWNFHBCBRNBLKE-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.58
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone

(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (PubChem CID 82796890) has the molecular formula C18H16F2O and a molecular weight of 286.32 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
PubChem CID82796890
Molecular FormulaC18H16F2O
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC Name(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2CCCc3ccccc32)c1F
InChIInChI=1S/C18H16F2O/c1-11-9-10-15(19)16(17(11)20)18(21)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChIKeyNWNFHBCBRNBLKE-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanone
CID 105124411
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 82823016
(3-bromo-2-fluorophenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 106644792
pyridin-4-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 55111214
(5-methyl-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 115373964
1,2,3,4-tetrahydronaphthalene-1-carbonyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 87137453
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
2-amino-1-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
CID 71326492
2,3-dihydro-1H-inden-1-yl-(2-fluorophenyl)methanone
CID 65408002
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
3-methyl-2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-1-one
CID 114282258
(4-ethoxyphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 63410560

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone (CID 82796890) is (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is Cc1ccc(F)c(C(=O)C2CCCc3ccccc32)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
The InChIKey is NWNFHBCBRNBLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O/c1-11-9-10-15(19)16(17(11)20)18(21)14-8-4-6-12-5-2-3-7-13(12)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone has a molecular weight of 286.32 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone is sourced from PubChem (CID 82796890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).