2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine

C8H15F3N2 — CID 131101567

IUPAC2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCC1(C)CN(C(CN)C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(2)4-13(5-7)6(3-12)8(9,10)11/h6H,3-5,12H2,1-2H3
InChIKeyFBFNZKSMQFSACH-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.22
Rot. Bonds2

About 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine

2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 131101567) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID131101567
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC Name2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESCC1(C)CN(C(CN)C(F)(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-7(2)4-13(5-7)6(3-12)8(9,10)11/h6H,3-5,12H2,1-2H3
InChIKeyFBFNZKSMQFSACH-UHFFFAOYSA-N
XLogP1.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine (CID 131101567) is 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine is CC1(C)CN(C(CN)C(F)(F)F)C1.
What is the InChIKey of 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is FBFNZKSMQFSACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-7(2)4-13(5-7)6(3-12)8(9,10)11/h6H,3-5,12H2,1-2H3.
What are the key properties of 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 196.22 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylazetidin-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 131101567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).