N-(3-chloro-4-fluorophenyl)oxolan-3-amine

C10H11ClFNO — CID 63331949

IUPACN-(3-chloro-4-fluorophenyl)oxolan-3-amine
SMILESFc1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C10H11ClFNO/c11-9-5-7(1-2-10(9)12)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyHBYFNOAJACLTDG-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.68
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)oxolan-3-amine

N-(3-chloro-4-fluorophenyl)oxolan-3-amine (PubChem CID 63331949) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)oxolan-3-amine
PubChem CID63331949
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC NameN-(3-chloro-4-fluorophenyl)oxolan-3-amine
SMILESFc1ccc(NC2CCOC2)cc1Cl
InChIInChI=1S/C10H11ClFNO/c11-9-5-7(1-2-10(9)12)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyHBYFNOAJACLTDG-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.66
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)oxolan-3-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)oxolan-3-amine (CID 63331949) is N-(3-chloro-4-fluorophenyl)oxolan-3-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)oxolan-3-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)oxolan-3-amine is Fc1ccc(NC2CCOC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)oxolan-3-amine?
The InChIKey is HBYFNOAJACLTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-9-5-7(1-2-10(9)12)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)oxolan-3-amine?
N-(3-chloro-4-fluorophenyl)oxolan-3-amine has a molecular weight of 215.66 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)oxolan-3-amine is sourced from PubChem (CID 63331949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).