6-(difluoromethoxy)naphthalene-2-carbaldehyde

C12H8F2O2 — CID 118848493

IUPAC6-(difluoromethoxy)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(OC(F)F)ccc2c1
InChIInChI=1S/C12H8F2O2/c13-12(14)16-11-4-3-9-5-8(7-15)1-2-10(9)6-11/h1-7,12H
InChIKeyMYFVKWOYSOETDL-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.25
Rot. Bonds3

About 6-(difluoromethoxy)naphthalene-2-carbaldehyde

6-(difluoromethoxy)naphthalene-2-carbaldehyde (PubChem CID 118848493) has the molecular formula C12H8F2O2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 6-(difluoromethoxy)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethoxy)naphthalene-2-carbaldehyde
PubChem CID118848493
Molecular FormulaC12H8F2O2
Molecular Weight222.19 g/mol
Exact Mass222.05
IUPAC Name6-(difluoromethoxy)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2cc(OC(F)F)ccc2c1
InChIInChI=1S/C12H8F2O2/c13-12(14)16-11-4-3-9-5-8(7-15)1-2-10(9)6-11/h1-7,12H
InChIKeyMYFVKWOYSOETDL-UHFFFAOYSA-N
XLogP3.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)benzaldehyde
CID 2736986
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
naphthalene-2,6-dicarbaldehyde
CID 159038637
6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
CID 10779540
2,4-bis(difluoromethoxy)benzaldehyde
CID 4218025
2-(difluoromethoxy)-7-methoxynaphthalene
CID 118831620
4-bromo-3-(difluoromethoxy)benzaldehyde
CID 170359480
4-(difluoromethoxy)-3-propan-2-yloxybenzaldehyde
CID 21187955
4-(difluoromethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320783
3-bromo-4-(difluoromethoxy)benzaldehyde;ethane
CID 177032368
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)naphthalene-2-carbaldehyde?
The IUPAC name of 6-(difluoromethoxy)naphthalene-2-carbaldehyde (CID 118848493) is 6-(difluoromethoxy)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethoxy)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethoxy)naphthalene-2-carbaldehyde is O=Cc1ccc2cc(OC(F)F)ccc2c1.
What is the InChIKey of 6-(difluoromethoxy)naphthalene-2-carbaldehyde?
The InChIKey is MYFVKWOYSOETDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2O2/c13-12(14)16-11-4-3-9-5-8(7-15)1-2-10(9)6-11/h1-7,12H.
What are the key properties of 6-(difluoromethoxy)naphthalene-2-carbaldehyde?
6-(difluoromethoxy)naphthalene-2-carbaldehyde has a molecular weight of 222.19 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)naphthalene-2-carbaldehyde is sourced from PubChem (CID 118848493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).