2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine

C11H22FN — CID 58779080

IUPAC2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCC(CF)N1C(C)C
InChIInChI=1S/C11H22FN/c1-8(2)11-6-5-10(7-12)13(11)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyVVEDRSWSCSCMKN-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.85
Rot. Bonds3

About 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine

2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 58779080) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine
PubChem CID58779080
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CCC(CF)N1C(C)C
InChIInChI=1S/C11H22FN/c1-8(2)11-6-5-10(7-12)13(11)9(3)4/h8-11H,5-7H2,1-4H3
InChIKeyVVEDRSWSCSCMKN-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine (CID 58779080) is 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine is CC(C)C1CCC(CF)N1C(C)C.
What is the InChIKey of 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is VVEDRSWSCSCMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)11-6-5-10(7-12)13(11)9(3)4/h8-11H,5-7H2,1-4H3.
What are the key properties of 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine?
2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58779080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).