3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine

C14H27F2N — CID 146621719

IUPAC3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine
SMILESCCCCC(C)(CCCC)N1CCC(F)(F)C1
InChIInChI=1S/C14H27F2N/c1-4-6-8-13(3,9-7-5-2)17-11-10-14(15,16)12-17/h4-12H2,1-3H3
InChIKeyAKJUOEWHPPTNPV-UHFFFAOYSA-N
MW247.37 g/mol
LogP4.47
Rot. Bonds7

About 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine

3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine (PubChem CID 146621719) has the molecular formula C14H27F2N and a molecular weight of 247.37 g/mol. Its IUPAC name is 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine
PubChem CID146621719
Molecular FormulaC14H27F2N
Molecular Weight247.37 g/mol
Exact Mass247.21
IUPAC Name3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine
SMILESCCCCC(C)(CCCC)N1CCC(F)(F)C1
InChIInChI=1S/C14H27F2N/c1-4-6-8-13(3,9-7-5-2)17-11-10-14(15,16)12-17/h4-12H2,1-3H3
InChIKeyAKJUOEWHPPTNPV-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine (CID 146621719) is 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine is CCCCC(C)(CCCC)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine?
The InChIKey is AKJUOEWHPPTNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2N/c1-4-6-8-13(3,9-7-5-2)17-11-10-14(15,16)12-17/h4-12H2,1-3H3.
What are the key properties of 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine?
3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine has a molecular weight of 247.37 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine is sourced from PubChem (CID 146621719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).