2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine

C12H20F3NO — CID 106210670

IUPAC2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
SMILESCC(C)C1CC(NC2(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C12H20F3NO/c1-8(2)10-7-9(3-6-17-10)16-11(4-5-11)12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeySKDGUUWDBBMPTF-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.87
Rot. Bonds3

About 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine

2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine (PubChem CID 106210670) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
PubChem CID106210670
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
SMILESCC(C)C1CC(NC2(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C12H20F3NO/c1-8(2)10-7-9(3-6-17-10)16-11(4-5-11)12(13,14)15/h8-10,16H,3-7H2,1-2H3
InChIKeySKDGUUWDBBMPTF-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
The IUPAC name of 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine (CID 106210670) is 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine.
What is the SMILES notation for 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
The canonical SMILES for 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine is CC(C)C1CC(NC2(C(F)(F)F)CC2)CCO1.
What is the InChIKey of 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
The InChIKey is SKDGUUWDBBMPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-8(2)10-7-9(3-6-17-10)16-11(4-5-11)12(13,14)15/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine is sourced from PubChem (CID 106210670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).