2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine

C11H22FN — CID 58778353

IUPAC2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(CF)N(C(C)C)C1
InChIInChI=1S/C11H22FN/c1-8(2)10-5-11(6-12)13(7-10)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyGFLRZFAZCCLITN-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds3

About 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine

2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine (PubChem CID 58778353) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
PubChem CID58778353
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CC(CF)N(C(C)C)C1
InChIInChI=1S/C11H22FN/c1-8(2)10-5-11(6-12)13(7-10)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyGFLRZFAZCCLITN-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
1-Methyl-3-propylpyrrolidine
CID 18722953
Tetramethylpyrrolidine
CID 22033887
1-Methyl-4-ethyl-2-n-propylpyrrolidine
CID 57834780
1,4-Dimethyl-2-n-propyl-pyrrolidine
CID 89311502
Tetramethylpyrrolidine hydro chloride
CID 129814480
Tetraethyl pyrrolidine
CID 129816013
3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
3-Ethyl-1-(2-fluoroethyl)pyrrolidine
CID 57639817
(2R)-1-(fluoromethyl)-2-(2-methylpropyl)pyrrolidine
CID 57733761
1,2-Ditert-butyl-4-fluoropyrrolidine
CID 58185605
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine (CID 58778353) is 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine is CC(C)C1CC(CF)N(C(C)C)C1.
What is the InChIKey of 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
The InChIKey is GFLRZFAZCCLITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)10-5-11(6-12)13(7-10)9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).