1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine

C6H10F4N2 — CID 130526684

IUPAC1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine
SMILESNC1CN(CC(F)(F)C(F)F)C1
InChIInChI=1S/C6H10F4N2/c7-5(8)6(9,10)3-12-1-4(11)2-12/h4-5H,1-3,11H2
InChIKeyCGVADEDYUGOIGL-UHFFFAOYSA-N
MW186.15 g/mol
LogP0.53
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine

1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine (PubChem CID 130526684) has the molecular formula C6H10F4N2 and a molecular weight of 186.15 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine
PubChem CID130526684
Molecular FormulaC6H10F4N2
Molecular Weight186.15 g/mol
Exact Mass186.08
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine
SMILESNC1CN(CC(F)(F)C(F)F)C1
InChIInChI=1S/C6H10F4N2/c7-5(8)6(9,10)3-12-1-4(11)2-12/h4-5H,1-3,11H2
InChIKeyCGVADEDYUGOIGL-UHFFFAOYSA-N
XLogP0.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine (CID 130526684) is 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine is NC1CN(CC(F)(F)C(F)F)C1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine?
The InChIKey is CGVADEDYUGOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4N2/c7-5(8)6(9,10)3-12-1-4(11)2-12/h4-5H,1-3,11H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine?
1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine has a molecular weight of 186.15 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)azetidin-3-amine is sourced from PubChem (CID 130526684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).