1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene

C22H16F4O2 — CID 157339906

IUPAC1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1ccc2ccccc2c1.FC(F)Oc1cccc2ccccc12
InChIInChI=1S/2C11H8F2O/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h2*1-7,11H
InChIKeyBGGVHCXHLYKHND-UHFFFAOYSA-N
MW388.36 g/mol
LogP6.88
Rot. Bonds4

About 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene

1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene (PubChem CID 157339906) has the molecular formula C22H16F4O2 and a molecular weight of 388.36 g/mol. Its IUPAC name is 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
PubChem CID157339906
Molecular FormulaC22H16F4O2
Molecular Weight388.36 g/mol
Exact Mass388.11
IUPAC Name1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1ccc2ccccc2c1.FC(F)Oc1cccc2ccccc12
InChIInChI=1S/2C11H8F2O/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h2*1-7,11H
InChIKeyBGGVHCXHLYKHND-UHFFFAOYSA-N
XLogP6.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.36
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-naphthalen-2-yloxyethoxy)naphthalene
CID 173215888
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
2,3-bis(difluoromethoxy)naphthalene
CID 119020355
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
3-(difluoromethoxy)-1-iodonaphthalene
CID 118814613
1-chloro-3-(difluoromethoxy)naphthalene
CID 118805249
1-(difluoromethoxy)-6,7-dimethylnaphthalene
CID 56838953
5-(difluoromethoxy)naphthalene-2-carbonyl chloride
CID 118830237
2-naphthalen-2-yloxy-N'-(2-naphthalen-1-yloxyacetyl)acetohydrazide
CID 4228152

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene?
The IUPAC name of 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene (CID 157339906) is 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene.
What is the SMILES notation for 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene?
The canonical SMILES for 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene is FC(F)Oc1ccc2ccccc2c1.FC(F)Oc1cccc2ccccc12.
What is the InChIKey of 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene?
The InChIKey is BGGVHCXHLYKHND-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8F2O/c12-11(13)14-10-7-3-5-8-4-1-2-6-9(8)10;12-11(13)14-10-6-5-8-3-1-2-4-9(8)7-10/h2*1-7,11H.
What are the key properties of 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene?
1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene has a molecular weight of 388.36 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)naphthalene;2-(difluoromethoxy)naphthalene is sourced from PubChem (CID 157339906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).