(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine

C9H17FN2 — CID 163527271

IUPAC(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine
SMILESC[C@@]1(F)CCN(CC2CNC2)C1
InChIInChI=1S/C9H17FN2/c1-9(10)2-3-12(7-9)6-8-4-11-5-8/h8,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyDPVOHAMVXJROSZ-SECBINFHSA-N
MW172.25 g/mol
LogP0.64
Rot. Bonds2

About (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine

(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine (PubChem CID 163527271) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine
PubChem CID163527271
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine
SMILESC[C@@]1(F)CCN(CC2CNC2)C1
InChIInChI=1S/C9H17FN2/c1-9(10)2-3-12(7-9)6-8-4-11-5-8/h8,11H,2-7H2,1H3/t9-/m1/s1
InChIKeyDPVOHAMVXJROSZ-SECBINFHSA-N
XLogP0.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine?
The IUPAC name of (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine (CID 163527271) is (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine.
What is the SMILES notation for (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine?
The canonical SMILES for (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine is C[C@@]1(F)CCN(CC2CNC2)C1.
What is the InChIKey of (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine?
The InChIKey is DPVOHAMVXJROSZ-SECBINFHSA-N. The full InChI is InChI=1S/C9H17FN2/c1-9(10)2-3-12(7-9)6-8-4-11-5-8/h8,11H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine?
(3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine has a molecular weight of 172.25 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(azetidin-3-ylmethyl)-3-fluoro-3-methylpyrrolidine is sourced from PubChem (CID 163527271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).