N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine

C13H17ClFNO — CID 103581294

IUPACN-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFNO/c1-9-13(2,5-6-17-9)16-8-10-7-11(15)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyCXCZCXPRHBCYLL-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.14
Rot. Bonds3

About N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine

N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine (PubChem CID 103581294) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine
PubChem CID103581294
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine
SMILESCC1OCCC1(C)NCc1cc(F)ccc1Cl
InChIInChI=1S/C13H17ClFNO/c1-9-13(2,5-6-17-9)16-8-10-7-11(15)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3
InChIKeyCXCZCXPRHBCYLL-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine?
The IUPAC name of N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine (CID 103581294) is N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine.
What is the SMILES notation for N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine?
The canonical SMILES for N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine is CC1OCCC1(C)NCc1cc(F)ccc1Cl.
What is the InChIKey of N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine?
The InChIKey is CXCZCXPRHBCYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9-13(2,5-6-17-9)16-8-10-7-11(15)3-4-12(10)14/h3-4,7,9,16H,5-6,8H2,1-2H3.
What are the key properties of N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine?
N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine has a molecular weight of 257.74 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-fluorophenyl)methyl]-2,3-dimethyloxolan-3-amine is sourced from PubChem (CID 103581294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).