N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C10H18F3NO — CID 66349872

IUPACN,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C1(C)C
InChIInChI=1S/C10H18F3NO/c1-6(10(11,12)13)15-8-5-7(14-4)9(8,2)3/h6-8,14H,5H2,1-4H3
InChIKeyWTQFCAGXZWRPKU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds3

About N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66349872) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66349872
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCNC1CC(OC(C)C(F)(F)F)C1(C)C
InChIInChI=1S/C10H18F3NO/c1-6(10(11,12)13)15-8-5-7(14-4)9(8,2)3/h6-8,14H,5H2,1-4H3
InChIKeyWTQFCAGXZWRPKU-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66349872) is N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CNC1CC(OC(C)C(F)(F)F)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is WTQFCAGXZWRPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-6(10(11,12)13)15-8-5-7(14-4)9(8,2)3/h6-8,14H,5H2,1-4H3.
What are the key properties of N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66349872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).