3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine

C11H10ClFN2O2 — CID 82720658

IUPAC3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
SMILESNC1(c2nc3cc(Cl)c(F)cc3o2)CCOC1
InChIInChI=1S/C11H10ClFN2O2/c12-6-3-8-9(4-7(6)13)17-10(15-8)11(14)1-2-16-5-11/h3-4H,1-2,5,14H2
InChIKeyHILRQENXEGNZSA-UHFFFAOYSA-N
MW256.66 g/mol
LogP2.19
Rot. Bonds1

About 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine

3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine (PubChem CID 82720658) has the molecular formula C11H10ClFN2O2 and a molecular weight of 256.66 g/mol. Its IUPAC name is 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
PubChem CID82720658
Molecular FormulaC11H10ClFN2O2
Molecular Weight256.66 g/mol
Exact Mass256.04
IUPAC Name3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine
SMILESNC1(c2nc3cc(Cl)c(F)cc3o2)CCOC1
InChIInChI=1S/C11H10ClFN2O2/c12-6-3-8-9(4-7(6)13)17-10(15-8)11(14)1-2-16-5-11/h3-4H,1-2,5,14H2
InChIKeyHILRQENXEGNZSA-UHFFFAOYSA-N
XLogP2.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine?
The IUPAC name of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine (CID 82720658) is 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine?
The canonical SMILES for 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine is NC1(c2nc3cc(Cl)c(F)cc3o2)CCOC1.
What is the InChIKey of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine?
The InChIKey is HILRQENXEGNZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O2/c12-6-3-8-9(4-7(6)13)17-10(15-8)11(14)1-2-16-5-11/h3-4H,1-2,5,14H2.
What are the key properties of 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine?
3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine has a molecular weight of 256.66 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-6-fluoro-1,3-benzoxazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 82720658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).