ethane;1-methyl-8-(trifluoromethoxy)naphthalene

C14H15F3O — CID 156747835

IUPACethane;1-methyl-8-(trifluoromethoxy)naphthalene
SMILESCC.Cc1cccc2cccc(OC(F)(F)F)c12
InChIInChI=1S/C12H9F3O.C2H6/c1-8-4-2-5-9-6-3-7-10(11(8)9)16-12(13,14)15;1-2/h2-7H,1H3;1-2H3
InChIKeyPPZPGHFKEJEIAD-UHFFFAOYSA-N
MW256.27 g/mol
LogP5.07
Rot. Bonds1

About ethane;1-methyl-8-(trifluoromethoxy)naphthalene

ethane;1-methyl-8-(trifluoromethoxy)naphthalene (PubChem CID 156747835) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is ethane;1-methyl-8-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Nameethane;1-methyl-8-(trifluoromethoxy)naphthalene
PubChem CID156747835
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Nameethane;1-methyl-8-(trifluoromethoxy)naphthalene
SMILESCC.Cc1cccc2cccc(OC(F)(F)F)c12
InChIInChI=1S/C12H9F3O.C2H6/c1-8-4-2-5-9-6-3-7-10(11(8)9)16-12(13,14)15;1-2/h2-7H,1H3;1-2H3
InChIKeyPPZPGHFKEJEIAD-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.27
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;1-methyl-8-(trifluoromethoxy)naphthalene 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

1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1,8-dimethylnaphthalene;ethane
CID 91447117
1-methyl-2-[2-methyl-6-(trifluoromethoxy)phenyl]sulfanyl-3-(trifluoromethoxy)benzene
CID 175290458
4,5-dimethylphenanthrene;ethane
CID 143983787
2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
CID 118819095
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
CID 87191314
4,21-dimethylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene
CID 177492723
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
1-ethoxy-3-methyl-2-(trifluoromethoxy)benzene
CID 118269087

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-8-(trifluoromethoxy)naphthalene?
The IUPAC name of ethane;1-methyl-8-(trifluoromethoxy)naphthalene (CID 156747835) is ethane;1-methyl-8-(trifluoromethoxy)naphthalene.
What is the SMILES notation for ethane;1-methyl-8-(trifluoromethoxy)naphthalene?
The canonical SMILES for ethane;1-methyl-8-(trifluoromethoxy)naphthalene is CC.Cc1cccc2cccc(OC(F)(F)F)c12.
What is the InChIKey of ethane;1-methyl-8-(trifluoromethoxy)naphthalene?
The InChIKey is PPZPGHFKEJEIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O.C2H6/c1-8-4-2-5-9-6-3-7-10(11(8)9)16-12(13,14)15;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;1-methyl-8-(trifluoromethoxy)naphthalene?
ethane;1-methyl-8-(trifluoromethoxy)naphthalene has a molecular weight of 256.27 g/mol, XLogP of 5.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-8-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 156747835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).