(3R)-3-(1,1-difluoroethyl)pyrrolidine

C6H11F2N — CID 154810011

IUPAC(3R)-3-(1,1-difluoroethyl)pyrrolidine
SMILESCC(F)(F)[C@@H]1CCNC1
InChIInChI=1S/C6H11F2N/c1-6(7,8)5-2-3-9-4-5/h5,9H,2-4H2,1H3/t5-/m1/s1
InChIKeyHCZBFTRLBDGZJS-RXMQYKEDSA-N
MW135.16 g/mol
LogP1.25
Rot. Bonds1

About (3R)-3-(1,1-difluoroethyl)pyrrolidine

(3R)-3-(1,1-difluoroethyl)pyrrolidine (PubChem CID 154810011) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is (3R)-3-(1,1-difluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(1,1-difluoroethyl)pyrrolidine
PubChem CID154810011
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name(3R)-3-(1,1-difluoroethyl)pyrrolidine
SMILESCC(F)(F)[C@@H]1CCNC1
InChIInChI=1S/C6H11F2N/c1-6(7,8)5-2-3-9-4-5/h5,9H,2-4H2,1H3/t5-/m1/s1
InChIKeyHCZBFTRLBDGZJS-RXMQYKEDSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,1-difluoroethyl)pyrrolidine?
The IUPAC name of (3R)-3-(1,1-difluoroethyl)pyrrolidine (CID 154810011) is (3R)-3-(1,1-difluoroethyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(1,1-difluoroethyl)pyrrolidine?
The canonical SMILES for (3R)-3-(1,1-difluoroethyl)pyrrolidine is CC(F)(F)[C@@H]1CCNC1.
What is the InChIKey of (3R)-3-(1,1-difluoroethyl)pyrrolidine?
The InChIKey is HCZBFTRLBDGZJS-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F2N/c1-6(7,8)5-2-3-9-4-5/h5,9H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (3R)-3-(1,1-difluoroethyl)pyrrolidine?
(3R)-3-(1,1-difluoroethyl)pyrrolidine has a molecular weight of 135.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,1-difluoroethyl)pyrrolidine is sourced from PubChem (CID 154810011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).