1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine

C15H29F2NO — CID 58341564

IUPAC1-[8-(2,2-difluoropropoxy)octyl]pyrrolidine
SMILESCC(COCCCCCCCCN1CCCC1)(F)F
InChIInChI=1S/C15H29F2NO/c1-15(16,17)14-19-13-9-5-3-2-4-6-10-18-11-7-8-12-18/h2-14H2,1H3
InChIKeyNIWXDAPBZVAQTN-UHFFFAOYSA-N
MW277.39 g/mol
LogP4.20
Rot. Bonds11

About 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine

1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine (PubChem CID 58341564) has the molecular formula C15H29F2NO and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-[8-(2,2-difluoropropoxy)octyl]pyrrolidine.

Molecular Properties

Compound Name1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine
PubChem CID58341564
Molecular FormulaC15H29F2NO
Molecular Weight277.39 g/mol
Exact Mass277.22
IUPAC Name1-[8-(2,2-difluoropropoxy)octyl]pyrrolidine
SMILESCC(COCCCCCCCCN1CCCC1)(F)F
InChIInChI=1S/C15H29F2NO/c1-15(16,17)14-19-13-9-5-3-2-4-6-10-18-11-7-8-12-18/h2-14H2,1H3
InChIKeyNIWXDAPBZVAQTN-UHFFFAOYSA-N
XLogP4.20
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity218

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(2,2-Difluoropropoxy)octyl]piperidine
CID 58341552
8-Pyrrolidin-1-yloctyl 2,2-difluoropropanoate
CID 58341570
1-[12-(2,2-Difluoropropoxy)dodecyl]pyrrolidine
CID 58341583
2-[2-(1,1-Difluoropropoxy)ethyl]-1-methylpyrrolidine
CID 68233397
2-[2-(1,1-Difluoroethoxy)ethyl]-1-methylpyrrolidine
CID 90392461
2-[2-(Difluoromethoxy)ethyl]-1-ethylpyrrolidine
CID 130225793
1-[1,2,2-Trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine
CID 130427150
1-[1,2,2-Trifluoro-2-[6-(1,1,2,3,3,3-hexafluoropropyl)oxan-2-yl]ethyl]pyrrolidine
CID 130427281
1-[1,2,2-Trifluoro-2-[5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-yl]ethyl]pyrrolidine;hydrofluoride
CID 161145766
N-ethyl-N-methyl-7-(trifluoromethoxy)heptan-1-amine
CID 172335841
N,N-diethyl-5-(1,1,2,3,3,3-hexafluoropropyl)oxolan-2-amine
CID 162536215
2-(5-Methoxypentyl)-1-methylpyrrolidine
CID 142035898

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine?
The IUPAC name of 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine (CID 58341564) is 1-[8-(2,2-difluoropropoxy)octyl]pyrrolidine.
What is the SMILES notation for 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine?
The canonical SMILES for 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine is CC(COCCCCCCCCN1CCCC1)(F)F.
What is the InChIKey of 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine?
The InChIKey is NIWXDAPBZVAQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-15(16,17)14-19-13-9-5-3-2-4-6-10-18-11-7-8-12-18/h2-14H2,1H3.
What are the key properties of 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine?
1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine has a molecular weight of 277.39 g/mol, XLogP of 4.20, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,2-Difluoropropoxy)octyl]pyrrolidine is sourced from PubChem (CID 58341564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).