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

C11H22FN — CID 58778510

IUPAC3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CN(C(C)C)CC1CF
InChIInChI=1S/C11H22FN/c1-8(2)11-7-13(9(3)4)6-10(11)5-12/h8-11H,5-7H2,1-4H3
InChIKeySETYJWJPINOPSA-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.57
Rot. Bonds3

About 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine

3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine (PubChem CID 58778510) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
PubChem CID58778510
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1CN(C(C)C)CC1CF
InChIInChI=1S/C11H22FN/c1-8(2)11-7-13(9(3)4)6-10(11)5-12/h8-11H,5-7H2,1-4H3
InChIKeySETYJWJPINOPSA-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine (CID 58778510) is 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine is CC(C)C1CN(C(C)C)CC1CF.
What is the InChIKey of 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
The InChIKey is SETYJWJPINOPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)11-7-13(9(3)4)6-10(11)5-12/h8-11H,5-7H2,1-4H3.
What are the key properties of 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine?
3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,4-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58778510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).