(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine

C11H13F2N — CID 129492988

IUPAC(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
SMILESFC[C@H]1CNC[C@H]1c1ccccc1F
InChIInChI=1S/C11H13F2N/c12-5-8-6-14-7-10(8)9-3-1-2-4-11(9)13/h1-4,8,10,14H,5-7H2/t8-,10+/m0/s1
InChIKeyCJUUDOPQRXOUCJ-WCBMZHEXSA-N
MW197.23 g/mol
LogP2.10
Rot. Bonds2

About (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine

(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine (PubChem CID 129492988) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
PubChem CID129492988
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine
SMILESFC[C@H]1CNC[C@H]1c1ccccc1F
InChIInChI=1S/C11H13F2N/c12-5-8-6-14-7-10(8)9-3-1-2-4-11(9)13/h1-4,8,10,14H,5-7H2/t8-,10+/m0/s1
InChIKeyCJUUDOPQRXOUCJ-WCBMZHEXSA-N
XLogP2.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine?
The IUPAC name of (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine (CID 129492988) is (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine.
What is the SMILES notation for (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine?
The canonical SMILES for (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine is FC[C@H]1CNC[C@H]1c1ccccc1F.
What is the InChIKey of (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine?
The InChIKey is CJUUDOPQRXOUCJ-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H13F2N/c12-5-8-6-14-7-10(8)9-3-1-2-4-11(9)13/h1-4,8,10,14H,5-7H2/t8-,10+/m0/s1.
What are the key properties of (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine?
(3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine has a molecular weight of 197.23 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(fluoromethyl)-4-(2-fluorophenyl)pyrrolidine is sourced from PubChem (CID 129492988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).