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

C12H22F3NO — CID 66350085

IUPAC2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO/c1-5-6-16-9-7-10(11(9,3)4)17-8(2)12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyMLOIRWHOZMYQQR-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

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

2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66350085) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66350085
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C1(C)C
InChIInChI=1S/C12H22F3NO/c1-5-6-16-9-7-10(11(9,3)4)17-8(2)12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyMLOIRWHOZMYQQR-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66350085) is 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CCCNC1CC(OC(C)C(F)(F)F)C1(C)C.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is MLOIRWHOZMYQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-5-6-16-9-7-10(11(9,3)4)17-8(2)12(13,14)15/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).