3,3-difluoro-1-heptylpyrrolidine

C11H21F2N — CID 174988522

IUPAC3,3-difluoro-1-heptylpyrrolidine
SMILESCCCCCCCN1CCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-2-3-4-5-6-8-14-9-7-11(12,13)10-14/h2-10H2,1H3
InChIKeyJYBMFVOLHDZACU-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.30
Rot. Bonds6

About 3,3-difluoro-1-heptylpyrrolidine

3,3-difluoro-1-heptylpyrrolidine (PubChem CID 174988522) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 3,3-difluoro-1-heptylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-heptylpyrrolidine
PubChem CID174988522
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name3,3-difluoro-1-heptylpyrrolidine
SMILESCCCCCCCN1CCC(F)(F)C1
InChIInChI=1S/C11H21F2N/c1-2-3-4-5-6-8-14-9-7-11(12,13)10-14/h2-10H2,1H3
InChIKeyJYBMFVOLHDZACU-UHFFFAOYSA-N
XLogP3.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,4-difluoro-1-heptylpiperidine
CID 138507375
2,8-dipentyl-2,8-diazaspiro[4.5]decane;ethane
CID 156829992
3,3-difluoro-1-(2-heptylnonyl)pyrrolidine
CID 130348172
3-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethylpropan-1-amine
CID 117007579
1-[4-(3,3-difluoropyrrolidin-1-yl)butyl]piperazine
CID 116991618
ethyl 4-(3,3-difluoropyrrolidin-1-yl)butanoate
CID 167771585
1-hexyl-4,4-dimethylpiperidine
CID 18722930
1-(2-butoxyethyl)-3,3-difluoropiperidine
CID 154627823
ethane;2-ethyl-7-pentyl-2,7-diazaspiro[3.5]nonane
CID 171554465
1-hexyl-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984296
4,4-difluoro-1-octylpiperidin-3-ol
CID 138581107
1-octylaziridine
CID 544653

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-heptylpyrrolidine?
The IUPAC name of 3,3-difluoro-1-heptylpyrrolidine (CID 174988522) is 3,3-difluoro-1-heptylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-heptylpyrrolidine?
The canonical SMILES for 3,3-difluoro-1-heptylpyrrolidine is CCCCCCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-heptylpyrrolidine?
The InChIKey is JYBMFVOLHDZACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-2-3-4-5-6-8-14-9-7-11(12,13)10-14/h2-10H2,1H3.
What are the key properties of 3,3-difluoro-1-heptylpyrrolidine?
3,3-difluoro-1-heptylpyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-heptylpyrrolidine is sourced from PubChem (CID 174988522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).