3-(difluoromethyl)-1-methylnaphthalene

C12H10F2 — CID 118018854

IUPAC3-(difluoromethyl)-1-methylnaphthalene
SMILESCc1cc(C(F)F)cc2ccccc12
InChIInChI=1S/C12H10F2/c1-8-6-10(12(13)14)7-9-4-2-3-5-11(8)9/h2-7,12H,1H3
InChIKeyBVHSOLSGAQLOAX-UHFFFAOYSA-N
MW192.21 g/mol
LogP4.09
Rot. Bonds1

About 3-(difluoromethyl)-1-methylnaphthalene

3-(difluoromethyl)-1-methylnaphthalene (PubChem CID 118018854) has the molecular formula C12H10F2 and a molecular weight of 192.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylnaphthalene.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylnaphthalene
PubChem CID118018854
Molecular FormulaC12H10F2
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name3-(difluoromethyl)-1-methylnaphthalene
SMILESCc1cc(C(F)F)cc2ccccc12
InChIInChI=1S/C12H10F2/c1-8-6-10(12(13)14)7-9-4-2-3-5-11(8)9/h2-7,12H,1H3
InChIKeyBVHSOLSGAQLOAX-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(difluoromethyl)naphthalen-1-ol
CID 118820473
1-methyl-3-(4-methylnaphthalen-2-yl)naphthalene
CID 58049667
1,3-dimethylnaphthalene;ethane
CID 145447624
3-iodo-1-methylnaphthalene
CID 11715949
3-bromo-1-methylnaphthalene
CID 18673607
1,3-dimethylnaphthalene;1,3-di(propan-2-yl)benzene
CID 157212509
ethane;4-methylnaphthalen-2-amine
CID 144829259
1-methyl-3-[(4-methylnaphthalen-2-yl)methyl]naphthalene
CID 54470765
7-(difluoromethyl)-1-methylnaphthalene
CID 118843150
ethane;methane;9-methylphenanthrene
CID 169171289
ethane;methane;9-methylphenanthrene
CID 144916914
10-methyl-2-propan-2-ylphenanthrene
CID 613068

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylnaphthalene?
The IUPAC name of 3-(difluoromethyl)-1-methylnaphthalene (CID 118018854) is 3-(difluoromethyl)-1-methylnaphthalene.
What is the SMILES notation for 3-(difluoromethyl)-1-methylnaphthalene?
The canonical SMILES for 3-(difluoromethyl)-1-methylnaphthalene is Cc1cc(C(F)F)cc2ccccc12.
What is the InChIKey of 3-(difluoromethyl)-1-methylnaphthalene?
The InChIKey is BVHSOLSGAQLOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2/c1-8-6-10(12(13)14)7-9-4-2-3-5-11(8)9/h2-7,12H,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylnaphthalene?
3-(difluoromethyl)-1-methylnaphthalene has a molecular weight of 192.21 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylnaphthalene is sourced from PubChem (CID 118018854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).