3-[4-(difluoromethoxy)phenyl]oxan-3-amine

C12H15F2NO2 — CID 154814534

IUPAC3-[4-(difluoromethoxy)phenyl]oxan-3-amine
SMILESNC1(c2ccc(OC(F)F)cc2)CCCOC1
InChIInChI=1S/C12H15F2NO2/c13-11(14)17-10-4-2-9(3-5-10)12(15)6-1-7-16-8-12/h2-5,11H,1,6-8,15H2
InChIKeyYNTFNOPTMIQQGB-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.25
Rot. Bonds3

About 3-[4-(difluoromethoxy)phenyl]oxan-3-amine

3-[4-(difluoromethoxy)phenyl]oxan-3-amine (PubChem CID 154814534) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]oxan-3-amine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]oxan-3-amine
PubChem CID154814534
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name3-[4-(difluoromethoxy)phenyl]oxan-3-amine
SMILESNC1(c2ccc(OC(F)F)cc2)CCCOC1
InChIInChI=1S/C12H15F2NO2/c13-11(14)17-10-4-2-9(3-5-10)12(15)6-1-7-16-8-12/h2-5,11H,1,6-8,15H2
InChIKeyYNTFNOPTMIQQGB-UHFFFAOYSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]oxan-3-amine?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]oxan-3-amine (CID 154814534) is 3-[4-(difluoromethoxy)phenyl]oxan-3-amine.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]oxan-3-amine?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]oxan-3-amine is NC1(c2ccc(OC(F)F)cc2)CCCOC1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]oxan-3-amine?
The InChIKey is YNTFNOPTMIQQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-11(14)17-10-4-2-9(3-5-10)12(15)6-1-7-16-8-12/h2-5,11H,1,6-8,15H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]oxan-3-amine?
3-[4-(difluoromethoxy)phenyl]oxan-3-amine has a molecular weight of 243.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]oxan-3-amine is sourced from PubChem (CID 154814534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).