(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine

C12H22F2N2 — CID 91805705

IUPAC(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine
SMILESCN1CC(C2C[C@H](CF)N(C)C2)CC1CF
InChIInChI=1S/C12H22F2N2/c1-15-7-9(3-11(15)5-13)10-4-12(6-14)16(2)8-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12?/m1/s1
InChIKeyZZYHTDBOIJTLPF-QDLLBCNESA-N
MW232.32 g/mol
LogP1.57
Rot. Bonds3

About (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine

(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine (PubChem CID 91805705) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine
PubChem CID91805705
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine
SMILESCN1CC(C2C[C@H](CF)N(C)C2)CC1CF
InChIInChI=1S/C12H22F2N2/c1-15-7-9(3-11(15)5-13)10-4-12(6-14)16(2)8-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12?/m1/s1
InChIKeyZZYHTDBOIJTLPF-QDLLBCNESA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine (CID 91805705) is (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine is CN1CC(C2C[C@H](CF)N(C)C2)CC1CF.
What is the InChIKey of (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine?
The InChIKey is ZZYHTDBOIJTLPF-QDLLBCNESA-N. The full InChI is InChI=1S/C12H22F2N2/c1-15-7-9(3-11(15)5-13)10-4-12(6-14)16(2)8-10/h9-12H,3-8H2,1-2H3/t9?,10?,11-,12?/m1/s1.
What are the key properties of (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine?
(2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine has a molecular weight of 232.32 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(fluoromethyl)-4-[5-(fluoromethyl)-1-methylpyrrolidin-3-yl]-1-methylpyrrolidine is sourced from PubChem (CID 91805705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).