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

C9H16F3NO — CID 66350083

IUPAC2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCC(OC1CC(N)C1(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-5(9(10,11)12)14-7-4-6(13)8(7,2)3/h5-7H,4,13H2,1-3H3
InChIKeyVJPWDIJZSNKXQP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds2

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

2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66350083) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66350083
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCC(OC1CC(N)C1(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-5(9(10,11)12)14-7-4-6(13)8(7,2)3/h5-7H,4,13H2,1-3H3
InChIKeyVJPWDIJZSNKXQP-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66350083) is 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CC(OC1CC(N)C1(C)C)C(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is VJPWDIJZSNKXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-5(9(10,11)12)14-7-4-6(13)8(7,2)3/h5-7H,4,13H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).