1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine

C11H21FN2 — CID 66580689

IUPAC1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine
SMILESCC1CCN(CCN2CC[C@@H](F)C2)C1
InChIInChI=1S/C11H21FN2/c1-10-2-4-13(8-10)6-7-14-5-3-11(12)9-14/h10-11H,2-9H2,1H3/t10?,11-/m1/s1
InChIKeyXRAUWCMSSHOGPN-RRKGBCIJSA-N
MW200.30 g/mol
LogP1.37
Rot. Bonds3

About 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine

1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine (PubChem CID 66580689) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine.

Molecular Properties

Compound Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine
PubChem CID66580689
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine
SMILESCC1CCN(CCN2CC[C@@H](F)C2)C1
InChIInChI=1S/C11H21FN2/c1-10-2-4-13(8-10)6-7-14-5-3-11(12)9-14/h10-11H,2-9H2,1H3/t10?,11-/m1/s1
InChIKeyXRAUWCMSSHOGPN-RRKGBCIJSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine?
The IUPAC name of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine (CID 66580689) is 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine.
What is the SMILES notation for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine?
The canonical SMILES for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine is CC1CCN(CCN2CC[C@@H](F)C2)C1.
What is the InChIKey of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine?
The InChIKey is XRAUWCMSSHOGPN-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H21FN2/c1-10-2-4-13(8-10)6-7-14-5-3-11(12)9-14/h10-11H,2-9H2,1H3/t10?,11-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine?
1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine has a molecular weight of 200.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3-methylpyrrolidine is sourced from PubChem (CID 66580689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).