1-chloro-4-(difluoromethoxy)naphthalene

C11H7ClF2O — CID 2119407

IUPAC1-chloro-4-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H7ClF2O/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H
InChIKeyQJUTVQAHUQPSGA-UHFFFAOYSA-N
MW228.63 g/mol
LogP4.09
Rot. Bonds2

About 1-chloro-4-(difluoromethoxy)naphthalene

1-chloro-4-(difluoromethoxy)naphthalene (PubChem CID 2119407) has the molecular formula C11H7ClF2O and a molecular weight of 228.63 g/mol. Its IUPAC name is 1-chloro-4-(difluoromethoxy)naphthalene.

Molecular Properties

Compound Name1-chloro-4-(difluoromethoxy)naphthalene
PubChem CID2119407
Molecular FormulaC11H7ClF2O
Molecular Weight228.63 g/mol
Exact Mass228.02
IUPAC Name1-chloro-4-(difluoromethoxy)naphthalene
SMILESFC(F)Oc1ccc(Cl)c2ccccc12
InChIInChI=1S/C11H7ClF2O/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H
InChIKeyQJUTVQAHUQPSGA-UHFFFAOYSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(difluoromethoxy)naphthalene?
The IUPAC name of 1-chloro-4-(difluoromethoxy)naphthalene (CID 2119407) is 1-chloro-4-(difluoromethoxy)naphthalene.
What is the SMILES notation for 1-chloro-4-(difluoromethoxy)naphthalene?
The canonical SMILES for 1-chloro-4-(difluoromethoxy)naphthalene is FC(F)Oc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(difluoromethoxy)naphthalene?
The InChIKey is QJUTVQAHUQPSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2O/c12-9-5-6-10(15-11(13)14)8-4-2-1-3-7(8)9/h1-6,11H.
What are the key properties of 1-chloro-4-(difluoromethoxy)naphthalene?
1-chloro-4-(difluoromethoxy)naphthalene has a molecular weight of 228.63 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(difluoromethoxy)naphthalene is sourced from PubChem (CID 2119407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).