2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane

C16H16ClFO — CID 65158033

IUPAC2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane
SMILESFc1ccc(C(Cl)CC2CCCO2)c2ccccc12
InChIInChI=1S/C16H16ClFO/c17-15(10-11-4-3-9-19-11)13-7-8-16(18)14-6-2-1-5-12(13)14/h1-2,5-8,11,15H,3-4,9-10H2
InChIKeySKDIDOFAJMUIOP-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.83
Rot. Bonds3

About 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane

2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane (PubChem CID 65158033) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane.

Molecular Properties

Compound Name2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane
PubChem CID65158033
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane
SMILESFc1ccc(C(Cl)CC2CCCO2)c2ccccc12
InChIInChI=1S/C16H16ClFO/c17-15(10-11-4-3-9-19-11)13-7-8-16(18)14-6-2-1-5-12(13)14/h1-2,5-8,11,15H,3-4,9-10H2
InChIKeySKDIDOFAJMUIOP-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane?
The IUPAC name of 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane (CID 65158033) is 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane.
What is the SMILES notation for 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane?
The canonical SMILES for 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane is Fc1ccc(C(Cl)CC2CCCO2)c2ccccc12.
What is the InChIKey of 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane?
The InChIKey is SKDIDOFAJMUIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c17-15(10-11-4-3-9-19-11)13-7-8-16(18)14-6-2-1-5-12(13)14/h1-2,5-8,11,15H,3-4,9-10H2.
What are the key properties of 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane?
2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane has a molecular weight of 278.75 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(4-fluoronaphthalen-1-yl)ethyl]oxolane is sourced from PubChem (CID 65158033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).