2-[4-(difluoromethyl)phenyl]oxan-4-amine

C12H15F2NO — CID 115525538

IUPAC2-[4-(difluoromethyl)phenyl]oxan-4-amine
SMILESNC1CCOC(c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C12H15F2NO/c13-12(14)9-3-1-8(2-4-9)11-7-10(15)5-6-16-11/h1-4,10-12H,5-7,15H2
InChIKeyODSGATXONSIVLQ-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.80
Rot. Bonds2

About 2-[4-(difluoromethyl)phenyl]oxan-4-amine

2-[4-(difluoromethyl)phenyl]oxan-4-amine (PubChem CID 115525538) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)phenyl]oxan-4-amine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)phenyl]oxan-4-amine
PubChem CID115525538
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[4-(difluoromethyl)phenyl]oxan-4-amine
SMILESNC1CCOC(c2ccc(C(F)F)cc2)C1
InChIInChI=1S/C12H15F2NO/c13-12(14)9-3-1-8(2-4-9)11-7-10(15)5-6-16-11/h1-4,10-12H,5-7,15H2
InChIKeyODSGATXONSIVLQ-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)phenyl]oxan-4-amine?
The IUPAC name of 2-[4-(difluoromethyl)phenyl]oxan-4-amine (CID 115525538) is 2-[4-(difluoromethyl)phenyl]oxan-4-amine.
What is the SMILES notation for 2-[4-(difluoromethyl)phenyl]oxan-4-amine?
The canonical SMILES for 2-[4-(difluoromethyl)phenyl]oxan-4-amine is NC1CCOC(c2ccc(C(F)F)cc2)C1.
What is the InChIKey of 2-[4-(difluoromethyl)phenyl]oxan-4-amine?
The InChIKey is ODSGATXONSIVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)9-3-1-8(2-4-9)11-7-10(15)5-6-16-11/h1-4,10-12H,5-7,15H2.
What are the key properties of 2-[4-(difluoromethyl)phenyl]oxan-4-amine?
2-[4-(difluoromethyl)phenyl]oxan-4-amine has a molecular weight of 227.25 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)phenyl]oxan-4-amine is sourced from PubChem (CID 115525538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).