1-chloro-4-(2-fluoroethoxy)naphthalene

C12H10ClFO — CID 15058746

IUPAC1-chloro-4-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C12H10ClFO/c13-11-5-6-12(15-8-7-14)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChIKeyOEHCFWNFDTYJJU-UHFFFAOYSA-N
MW224.66 g/mol
LogP3.84
Rot. Bonds3

About 1-chloro-4-(2-fluoroethoxy)naphthalene

1-chloro-4-(2-fluoroethoxy)naphthalene (PubChem CID 15058746) has the molecular formula C12H10ClFO and a molecular weight of 224.66 g/mol. Its IUPAC name is 1-chloro-4-(2-fluoroethoxy)naphthalene.

Molecular Properties

Compound Name1-chloro-4-(2-fluoroethoxy)naphthalene
PubChem CID15058746
Molecular FormulaC12H10ClFO
Molecular Weight224.66 g/mol
Exact Mass224.04
IUPAC Name1-chloro-4-(2-fluoroethoxy)naphthalene
SMILESFCCOc1ccc(Cl)c2ccccc12
InChIInChI=1S/C12H10ClFO/c13-11-5-6-12(15-8-7-14)10-4-2-1-3-9(10)11/h1-6H,7-8H2
InChIKeyOEHCFWNFDTYJJU-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-fluoroethoxy)naphthalene?
The IUPAC name of 1-chloro-4-(2-fluoroethoxy)naphthalene (CID 15058746) is 1-chloro-4-(2-fluoroethoxy)naphthalene.
What is the SMILES notation for 1-chloro-4-(2-fluoroethoxy)naphthalene?
The canonical SMILES for 1-chloro-4-(2-fluoroethoxy)naphthalene is FCCOc1ccc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-4-(2-fluoroethoxy)naphthalene?
The InChIKey is OEHCFWNFDTYJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO/c13-11-5-6-12(15-8-7-14)10-4-2-1-3-9(10)11/h1-6H,7-8H2.
What are the key properties of 1-chloro-4-(2-fluoroethoxy)naphthalene?
1-chloro-4-(2-fluoroethoxy)naphthalene has a molecular weight of 224.66 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-fluoroethoxy)naphthalene is sourced from PubChem (CID 15058746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).