7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene

C12H9F3O — CID 58839694

IUPAC7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
SMILESCc1cc(F)c2cc(OC(F)F)ccc2c1
InChIInChI=1S/C12H9F3O/c1-7-4-8-2-3-9(16-12(14)15)6-10(8)11(13)5-7/h2-6,12H,1H3
InChIKeyWIDCAYDQTSMHIP-UHFFFAOYSA-N
MW226.20 g/mol
LogP3.89
Rot. Bonds2

About 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene

7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene (PubChem CID 58839694) has the molecular formula C12H9F3O and a molecular weight of 226.20 g/mol. Its IUPAC name is 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene.

Molecular Properties

Compound Name7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
PubChem CID58839694
Molecular FormulaC12H9F3O
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene
SMILESCc1cc(F)c2cc(OC(F)F)ccc2c1
InChIInChI=1S/C12H9F3O/c1-7-4-8-2-3-9(16-12(14)15)6-10(8)11(13)5-7/h2-6,12H,1H3
InChIKeyWIDCAYDQTSMHIP-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-1-fluoro-3-methylnaphthalene
CID 58839538
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
2-(difluoromethoxy)-3-fluoro-5-methylaniline;hydrochloride
CID 119081480
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
1-(difluoromethoxy)-3,5-dimethylbenzene;ethane
CID 144663718
2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
CID 21026870
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
4-(difluoromethoxy)-2-fluoro-N-methylaniline
CID 131040110
[3-(difluoromethoxy)phenyl]-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883266

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene?
The IUPAC name of 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene (CID 58839694) is 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene.
What is the SMILES notation for 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene?
The canonical SMILES for 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene is Cc1cc(F)c2cc(OC(F)F)ccc2c1.
What is the InChIKey of 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene?
The InChIKey is WIDCAYDQTSMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O/c1-7-4-8-2-3-9(16-12(14)15)6-10(8)11(13)5-7/h2-6,12H,1H3.
What are the key properties of 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene?
7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene has a molecular weight of 226.20 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethoxy)-1-fluoro-3-methylnaphthalene is sourced from PubChem (CID 58839694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).