1-fluoro-6-(trifluoromethoxy)naphthalene

C11H6F4O — CID 133084221

IUPAC1-fluoro-6-(trifluoromethoxy)naphthalene
SMILESFc1cccc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H6F4O/c12-10-3-1-2-7-6-8(4-5-9(7)10)16-11(13,14)15/h1-6H
InChIKeyUWWPONFFMFMYOL-UHFFFAOYSA-N
MW230.16 g/mol
LogP3.88
Rot. Bonds1

About 1-fluoro-6-(trifluoromethoxy)naphthalene

1-fluoro-6-(trifluoromethoxy)naphthalene (PubChem CID 133084221) has the molecular formula C11H6F4O and a molecular weight of 230.16 g/mol. Its IUPAC name is 1-fluoro-6-(trifluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-fluoro-6-(trifluoromethoxy)naphthalene
PubChem CID133084221
Molecular FormulaC11H6F4O
Molecular Weight230.16 g/mol
Exact Mass230.04
IUPAC Name1-fluoro-6-(trifluoromethoxy)naphthalene
SMILESFc1cccc2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C11H6F4O/c12-10-3-1-2-7-6-8(4-5-9(7)10)16-11(13,14)15/h1-6H
InChIKeyUWWPONFFMFMYOL-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-fluoro-6-(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

2-(trifluoromethoxy)triphenylene
CID 154001040
1-methyl-7-(trifluoromethoxy)naphthalene
CID 118830496
1-methyl-6-(trifluoromethoxy)isoquinoline
CID 91053898
1-methyl-5-(trifluoromethoxy)-2-benzofuran
CID 174850937
1-fluoro-4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzene
CID 134629043
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
2-bromo-6-(trifluoromethoxy)naphthalene
CID 57429270
[3-(trifluoromethoxy)naphthalen-1-yl]methanol
CID 118803751
1,2-difluoro-3-[3-(trifluoromethoxy)phenyl]benzene
CID 22355337
(5-fluoronaphthalen-2-yl) 4-but-3-enyl-2,6-difluorobenzoate
CID 139853907
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
2-bromo-7-(trifluoromethoxy)naphthalene
CID 57429269

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(trifluoromethoxy)naphthalene?
The IUPAC name of 1-fluoro-6-(trifluoromethoxy)naphthalene (CID 133084221) is 1-fluoro-6-(trifluoromethoxy)naphthalene.
What is the SMILES notation for 1-fluoro-6-(trifluoromethoxy)naphthalene?
The canonical SMILES for 1-fluoro-6-(trifluoromethoxy)naphthalene is Fc1cccc2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 1-fluoro-6-(trifluoromethoxy)naphthalene?
The InChIKey is UWWPONFFMFMYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4O/c12-10-3-1-2-7-6-8(4-5-9(7)10)16-11(13,14)15/h1-6H.
What are the key properties of 1-fluoro-6-(trifluoromethoxy)naphthalene?
1-fluoro-6-(trifluoromethoxy)naphthalene has a molecular weight of 230.16 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(trifluoromethoxy)naphthalene is sourced from PubChem (CID 133084221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).