1-(2-ethylpentyl)-3,3-difluoropyrrolidine

C11H21F2N — CID 130419412

IUPAC1-(2-ethylpentyl)-3,3-difluoropyrrolidine
SMILESCCCC(CC)CN1CCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-3-5-10(4-2)8-14-7-6-11(12,13)9-14/h10H,3-9H2,1-2H3
InChIKeyHXWWVQAYQWYYGV-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-ethylpentyl)-3,3-difluoropyrrolidine

1-(2-ethylpentyl)-3,3-difluoropyrrolidine (PubChem CID 130419412) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-(2-ethylpentyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(2-ethylpentyl)-3,3-difluoropyrrolidine
PubChem CID130419412
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-(2-ethylpentyl)-3,3-difluoropyrrolidine
SMILESCCCC(CC)CN1CCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-3-5-10(4-2)8-14-7-6-11(12,13)9-14/h10H,3-9H2,1-2H3
InChIKeyHXWWVQAYQWYYGV-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpentyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(2-ethylpentyl)-3,3-difluoropyrrolidine (CID 130419412) is 1-(2-ethylpentyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(2-ethylpentyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(2-ethylpentyl)-3,3-difluoropyrrolidine is CCCC(CC)CN1CCC(F)(F)C1.
What is the InChIKey of 1-(2-ethylpentyl)-3,3-difluoropyrrolidine?
The InChIKey is HXWWVQAYQWYYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-5-10(4-2)8-14-7-6-11(12,13)9-14/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-ethylpentyl)-3,3-difluoropyrrolidine?
1-(2-ethylpentyl)-3,3-difluoropyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpentyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 130419412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).