4-[4-(trifluoromethyl)phenyl]oxan-4-amine

C12H14F3NO — CID 55163316

IUPAC4-[4-(trifluoromethyl)phenyl]oxan-4-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2)CCOCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)11(16)5-7-17-8-6-11/h1-4H,5-8,16H2
InChIKeyIXJZJDSSYXVGEC-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.67
Rot. Bonds1

About 4-[4-(trifluoromethyl)phenyl]oxan-4-amine

4-[4-(trifluoromethyl)phenyl]oxan-4-amine (PubChem CID 55163316) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]oxan-4-amine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]oxan-4-amine
PubChem CID55163316
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[4-(trifluoromethyl)phenyl]oxan-4-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2)CCOCC1
InChIInChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)11(16)5-7-17-8-6-11/h1-4H,5-8,16H2
InChIKeyIXJZJDSSYXVGEC-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]oxan-4-amine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]oxan-4-amine (CID 55163316) is 4-[4-(trifluoromethyl)phenyl]oxan-4-amine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]oxan-4-amine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]oxan-4-amine is NC1(c2ccc(C(F)(F)F)cc2)CCOCC1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]oxan-4-amine?
The InChIKey is IXJZJDSSYXVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)10-3-1-9(2-4-10)11(16)5-7-17-8-6-11/h1-4H,5-8,16H2.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]oxan-4-amine?
4-[4-(trifluoromethyl)phenyl]oxan-4-amine has a molecular weight of 245.24 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]oxan-4-amine is sourced from PubChem (CID 55163316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).