4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine

C11H21F2N — CID 163972119

IUPAC4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(F)CN1CCCF
InChIInChI=1S/C11H21F2N/c1-9(2)6-11-7-10(13)8-14(11)5-3-4-12/h9-11H,3-8H2,1-2H3
InChIKeyBMPHETNRXAKDQI-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.80
Rot. Bonds5

About 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine

4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine (PubChem CID 163972119) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
PubChem CID163972119
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1CC(F)CN1CCCF
InChIInChI=1S/C11H21F2N/c1-9(2)6-11-7-10(13)8-14(11)5-3-4-12/h9-11H,3-8H2,1-2H3
InChIKeyBMPHETNRXAKDQI-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine (CID 163972119) is 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine is CC(C)CC1CC(F)CN1CCCF.
What is the InChIKey of 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
The InChIKey is BMPHETNRXAKDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-9(2)6-11-7-10(13)8-14(11)5-3-4-12/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine?
4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-fluoropropyl)-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 163972119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).