1-(fluoromethoxy)-3,7-dimethylnaphthalene

C13H13FO — CID 59795441

IUPAC1-(fluoromethoxy)-3,7-dimethylnaphthalene
SMILESCc1cc(OCF)c2cc(C)ccc2c1
InChIInChI=1S/C13H13FO/c1-9-3-4-11-5-10(2)7-13(15-8-14)12(11)6-9/h3-7H,8H2,1-2H3
InChIKeyFRAAKHCRQITCGL-UHFFFAOYSA-N
MW204.24 g/mol
LogP3.76
Rot. Bonds2

About 1-(fluoromethoxy)-3,7-dimethylnaphthalene

1-(fluoromethoxy)-3,7-dimethylnaphthalene (PubChem CID 59795441) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-(fluoromethoxy)-3,7-dimethylnaphthalene.

Molecular Properties

Compound Name1-(fluoromethoxy)-3,7-dimethylnaphthalene
PubChem CID59795441
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name1-(fluoromethoxy)-3,7-dimethylnaphthalene
SMILESCc1cc(OCF)c2cc(C)ccc2c1
InChIInChI=1S/C13H13FO/c1-9-3-4-11-5-10(2)7-13(15-8-14)12(11)6-9/h3-7H,8H2,1-2H3
InChIKeyFRAAKHCRQITCGL-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-3,7-dimethylnaphthalene?
The IUPAC name of 1-(fluoromethoxy)-3,7-dimethylnaphthalene (CID 59795441) is 1-(fluoromethoxy)-3,7-dimethylnaphthalene.
What is the SMILES notation for 1-(fluoromethoxy)-3,7-dimethylnaphthalene?
The canonical SMILES for 1-(fluoromethoxy)-3,7-dimethylnaphthalene is Cc1cc(OCF)c2cc(C)ccc2c1.
What is the InChIKey of 1-(fluoromethoxy)-3,7-dimethylnaphthalene?
The InChIKey is FRAAKHCRQITCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c1-9-3-4-11-5-10(2)7-13(15-8-14)12(11)6-9/h3-7H,8H2,1-2H3.
What are the key properties of 1-(fluoromethoxy)-3,7-dimethylnaphthalene?
1-(fluoromethoxy)-3,7-dimethylnaphthalene has a molecular weight of 204.24 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-3,7-dimethylnaphthalene is sourced from PubChem (CID 59795441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).