6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene

C12H7F5O — CID 118842934

IUPAC6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene
SMILESFC(F)c1ccc2c(OC(F)(F)F)cccc2c1
InChIInChI=1S/C12H7F5O/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)18-12(15,16)17/h1-6,11H
InChIKeyALMOSKWYVZPSEG-UHFFFAOYSA-N
MW262.18 g/mol
LogP4.68
Rot. Bonds2

About 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene

6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene (PubChem CID 118842934) has the molecular formula C12H7F5O and a molecular weight of 262.18 g/mol. Its IUPAC name is 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene
PubChem CID118842934
Molecular FormulaC12H7F5O
Molecular Weight262.18 g/mol
Exact Mass262.04
IUPAC Name6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene
SMILESFC(F)c1ccc2c(OC(F)(F)F)cccc2c1
InChIInChI=1S/C12H7F5O/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)18-12(15,16)17/h1-6,11H
InChIKeyALMOSKWYVZPSEG-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(trifluoromethoxy)naphthalene-2-carbaldehyde
CID 118841494
1,8-bis(trifluoromethoxy)naphthalene
CID 118813409
1-chloro-2-(difluoromethoxy)-3-(trifluoromethoxy)benzene
CID 134625765
(6-propan-2-ylnaphthalen-1-yl) acetate
CID 66701669
5-(trifluoromethoxy)quinolin-2-amine
CID 125425664
methyl 5-(difluoromethyl)-2-(trifluoromethoxy)benzoate
CID 170998929
[4-(trifluoromethoxy)naphthalen-2-yl]methanol
CID 118830299
1-fluoro-6-(trifluoromethoxy)naphthalene
CID 133084221
7-(difluoromethyl)naphthalen-1-ol
CID 118803883
1,6-di(propan-2-yl)naphthalene
CID 3016596
2-bromo-1-[5-(difluoromethyl)-2-(trifluoromethoxy)phenyl]ethanone
CID 170998979
2-chloro-1-[5-(difluoromethyl)-2-(trifluoromethoxy)phenyl]ethanone
CID 170998989

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene?
The IUPAC name of 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene (CID 118842934) is 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene.
What is the SMILES notation for 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene?
The canonical SMILES for 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene is FC(F)c1ccc2c(OC(F)(F)F)cccc2c1.
What is the InChIKey of 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene?
The InChIKey is ALMOSKWYVZPSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5O/c13-11(14)8-4-5-9-7(6-8)2-1-3-10(9)18-12(15,16)17/h1-6,11H.
What are the key properties of 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene?
6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene has a molecular weight of 262.18 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 118842934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).