1-methyl-7-(trifluoromethoxy)naphthalene

C12H9F3O — CID 118830496

IUPAC1-methyl-7-(trifluoromethoxy)naphthalene
SMILESCc1cccc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C12H9F3O/c1-8-3-2-4-9-5-6-10(7-11(8)9)16-12(13,14)15/h2-7H,1H3
InChIKeyPYRPQJAEXONDNF-UHFFFAOYSA-N
MW226.20 g/mol
LogP4.05
Rot. Bonds1

About 1-methyl-7-(trifluoromethoxy)naphthalene

1-methyl-7-(trifluoromethoxy)naphthalene (PubChem CID 118830496) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 1-methyl-7-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-methyl-7-(trifluoromethoxy)naphthalene
PubChem CID118830496
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name1-methyl-7-(trifluoromethoxy)naphthalene
SMILESCc1cccc2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C12H9F3O/c1-8-3-2-4-9-5-6-10(7-11(8)9)16-12(13,14)15/h2-7H,1H3
InChIKeyPYRPQJAEXONDNF-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2-(2-methylphenyl)-4-(trifluoromethoxy)benzene
CID 143206169
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
2-(trifluoromethoxy)triphenylene
CID 154001040
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
4-(8-methylnaphthalen-2-yl)oxybenzonitrile
CID 126674699
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
2-methyl-6-[2-methyl-5-(trifluoromethoxy)phenyl]pyridine
CID 162575936
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
3-methylheptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2,4,6(36),7,9,11(35),12,14,16(34),17(33),18,20,22(32),23,25,27(31),28-octadecaene
CID 171043844
3-ethyl-8-methyl-2-[4-(trifluoromethoxy)phenyl]isoquinolin-1-one
CID 147726642

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(trifluoromethoxy)naphthalene?
The IUPAC name of 1-methyl-7-(trifluoromethoxy)naphthalene (CID 118830496) is 1-methyl-7-(trifluoromethoxy)naphthalene.
What is the SMILES notation for 1-methyl-7-(trifluoromethoxy)naphthalene?
The canonical SMILES for 1-methyl-7-(trifluoromethoxy)naphthalene is Cc1cccc2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 1-methyl-7-(trifluoromethoxy)naphthalene?
The InChIKey is PYRPQJAEXONDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O/c1-8-3-2-4-9-5-6-10(7-11(8)9)16-12(13,14)15/h2-7H,1H3.
What are the key properties of 1-methyl-7-(trifluoromethoxy)naphthalene?
1-methyl-7-(trifluoromethoxy)naphthalene has a molecular weight of 226.20 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 118830496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).