(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine

C6H11F3N2 — CID 86327569

IUPAC(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC[C@@H](N1CCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c7-6(8,9)5(4-10)11-2-1-3-11/h5H,1-4,10H2/t5-/m1/s1
InChIKeyBVVNZGJNHPMVQN-RXMQYKEDSA-N
MW168.16 g/mol
LogP0.58
Rot. Bonds2

About (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine

(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 86327569) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID86327569
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC[C@@H](N1CCC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2/c7-6(8,9)5(4-10)11-2-1-3-11/h5H,1-4,10H2/t5-/m1/s1
InChIKeyBVVNZGJNHPMVQN-RXMQYKEDSA-N
XLogP0.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine (CID 86327569) is (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine is NC[C@@H](N1CCC1)C(F)(F)F.
What is the InChIKey of (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is BVVNZGJNHPMVQN-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F3N2/c7-6(8,9)5(4-10)11-2-1-3-11/h5H,1-4,10H2/t5-/m1/s1.
What are the key properties of (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine?
(2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 168.16 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azetidin-1-yl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 86327569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).