1-(3,3-dimethylbutoxy)-7-fluoronaphthalene

C16H19FO — CID 70807978

IUPAC1-(3,3-dimethylbutoxy)-7-fluoronaphthalene
SMILESCC(C)(C)CCOc1cccc2ccc(F)cc12
InChIInChI=1S/C16H19FO/c1-16(2,3)9-10-18-15-6-4-5-12-7-8-13(17)11-14(12)15/h4-8,11H,9-10H2,1-3H3
InChIKeyTXYZODYOXCTTFS-UHFFFAOYSA-N
MW246.33 g/mol
LogP4.79
Rot. Bonds3

About 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene

1-(3,3-dimethylbutoxy)-7-fluoronaphthalene (PubChem CID 70807978) has the molecular formula C16H19FO and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene.

Molecular Properties

Compound Name1-(3,3-dimethylbutoxy)-7-fluoronaphthalene
PubChem CID70807978
Molecular FormulaC16H19FO
Molecular Weight246.33 g/mol
Exact Mass246.14
IUPAC Name1-(3,3-dimethylbutoxy)-7-fluoronaphthalene
SMILESCC(C)(C)CCOc1cccc2ccc(F)cc12
InChIInChI=1S/C16H19FO/c1-16(2,3)9-10-18-15-6-4-5-12-7-8-13(17)11-14(12)15/h4-8,11H,9-10H2,1-3H3
InChIKeyTXYZODYOXCTTFS-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 59667496
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
(7-fluoronaphthalen-1-yl) methanesulfonate
CID 87898850
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
1-(3,3-dimethylbutoxy)-3-fluoro-2-nitrobenzene
CID 66233603
3-fluoro-N-(2-naphthalen-1-yloxyethyl)aniline
CID 63506410
1-butoxy-6,7-difluoronaphthalene
CID 70812007
1,3-bis(3,3-dimethylbutoxy)benzene
CID 69310955
1-bromo-2-(3,3-dimethylbutoxy)benzene
CID 63530273
1-[2-(3,3-dimethylbutoxy)naphthalen-1-yl]-N-methylmethanamine
CID 61481605

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene?
The IUPAC name of 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene (CID 70807978) is 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene.
What is the SMILES notation for 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene?
The canonical SMILES for 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene is CC(C)(C)CCOc1cccc2ccc(F)cc12.
What is the InChIKey of 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene?
The InChIKey is TXYZODYOXCTTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO/c1-16(2,3)9-10-18-15-6-4-5-12-7-8-13(17)11-14(12)15/h4-8,11H,9-10H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene?
1-(3,3-dimethylbutoxy)-7-fluoronaphthalene has a molecular weight of 246.33 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutoxy)-7-fluoronaphthalene is sourced from PubChem (CID 70807978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).