4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine

C12H23F2N — CID 123146086

IUPAC4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine
SMILESCCCC(C)(CCC)C1CC(F)(F)CN1
InChIInChI=1S/C12H23F2N/c1-4-6-11(3,7-5-2)10-8-12(13,14)9-15-10/h10,15H,4-9H2,1-3H3
InChIKeyQHOPMCSPXIZCHM-UHFFFAOYSA-N
MW219.32 g/mol
LogP3.59
Rot. Bonds5

About 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine

4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine (PubChem CID 123146086) has the molecular formula C12H23F2N and a molecular weight of 219.32 g/mol. Its IUPAC name is 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine
PubChem CID123146086
Molecular FormulaC12H23F2N
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine
SMILESCCCC(C)(CCC)C1CC(F)(F)CN1
InChIInChI=1S/C12H23F2N/c1-4-6-11(3,7-5-2)10-8-12(13,14)9-15-10/h10,15H,4-9H2,1-3H3
InChIKeyQHOPMCSPXIZCHM-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine?
The IUPAC name of 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine (CID 123146086) is 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine is CCCC(C)(CCC)C1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine?
The InChIKey is QHOPMCSPXIZCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N/c1-4-6-11(3,7-5-2)10-8-12(13,14)9-15-10/h10,15H,4-9H2,1-3H3.
What are the key properties of 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine?
4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine has a molecular weight of 219.32 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(4-methylheptan-4-yl)pyrrolidine is sourced from PubChem (CID 123146086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).