N-(3-chloro-2-fluorophenyl)oxolan-3-amine

C10H11ClFNO — CID 63332004

IUPACN-(3-chloro-2-fluorophenyl)oxolan-3-amine
SMILESFc1c(Cl)cccc1NC1CCOC1
InChIInChI=1S/C10H11ClFNO/c11-8-2-1-3-9(10(8)12)13-7-4-5-14-6-7/h1-3,7,13H,4-6H2
InChIKeyORXOONGQSFKELN-UHFFFAOYSA-N
MW215.66 g/mol
LogP2.68
Rot. Bonds2

About N-(3-chloro-2-fluorophenyl)oxolan-3-amine

N-(3-chloro-2-fluorophenyl)oxolan-3-amine (PubChem CID 63332004) has the molecular formula C10H11ClFNO and a molecular weight of 215.66 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)oxolan-3-amine
PubChem CID63332004
Molecular FormulaC10H11ClFNO
Molecular Weight215.66 g/mol
Exact Mass215.05
IUPAC NameN-(3-chloro-2-fluorophenyl)oxolan-3-amine
SMILESFc1c(Cl)cccc1NC1CCOC1
InChIInChI=1S/C10H11ClFNO/c11-8-2-1-3-9(10(8)12)13-7-4-5-14-6-7/h1-3,7,13H,4-6H2
InChIKeyORXOONGQSFKELN-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-2-fluorophenyl)oxolan-3-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)oxolan-3-amine (CID 63332004) is N-(3-chloro-2-fluorophenyl)oxolan-3-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)oxolan-3-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)oxolan-3-amine is Fc1c(Cl)cccc1NC1CCOC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)oxolan-3-amine?
The InChIKey is ORXOONGQSFKELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO/c11-8-2-1-3-9(10(8)12)13-7-4-5-14-6-7/h1-3,7,13H,4-6H2.
What are the key properties of N-(3-chloro-2-fluorophenyl)oxolan-3-amine?
N-(3-chloro-2-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-2-fluorophenyl)oxolan-3-amine is sourced from PubChem (CID 63332004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).