3-[4-(difluoromethyl)phenoxy]pyrrolidine

C11H13F2NO — CID 115028194

IUPAC3-[4-(difluoromethyl)phenoxy]pyrrolidine
SMILESFC(F)c1ccc(OC2CCNC2)cc1
InChIInChI=1S/C11H13F2NO/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10-11,14H,5-7H2
InChIKeyBSJMFEGCBMXVAF-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.36
Rot. Bonds3

About 3-[4-(difluoromethyl)phenoxy]pyrrolidine

3-[4-(difluoromethyl)phenoxy]pyrrolidine (PubChem CID 115028194) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)phenoxy]pyrrolidine
PubChem CID115028194
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-[4-(difluoromethyl)phenoxy]pyrrolidine
SMILESFC(F)c1ccc(OC2CCNC2)cc1
InChIInChI=1S/C11H13F2NO/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10-11,14H,5-7H2
InChIKeyBSJMFEGCBMXVAF-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-fluoroethyl)phenoxy]pyrrolidine
CID 115026405
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
(3S)-3-(4-fluorophenoxy)pyrrolidine
CID 26192125
3-(4-methylphenoxy)pyrrolidine
CID 18337173
3-(4-nitrosophenoxy)pyrrolidine
CID 152791507
4-[4-(difluoromethoxy)phenoxy]piperidine
CID 86685910
N-[(1S)-1-(4-pyrrolidin-3-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 90093065
(3S)-3-(3-bromo-4-fluorophenoxy)pyrrolidine
CID 83234121
5-[(3S)-pyrrolidin-3-yl]oxy-1H-indole
CID 141128879
4-(4-iodophenoxy)piperidine
CID 53409910
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
(3S)-3-(2,3-difluorophenoxy)pyrrolidine
CID 94987117

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)phenoxy]pyrrolidine?
The IUPAC name of 3-[4-(difluoromethyl)phenoxy]pyrrolidine (CID 115028194) is 3-[4-(difluoromethyl)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[4-(difluoromethyl)phenoxy]pyrrolidine?
The canonical SMILES for 3-[4-(difluoromethyl)phenoxy]pyrrolidine is FC(F)c1ccc(OC2CCNC2)cc1.
What is the InChIKey of 3-[4-(difluoromethyl)phenoxy]pyrrolidine?
The InChIKey is BSJMFEGCBMXVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-11(13)8-1-3-9(4-2-8)15-10-5-6-14-7-10/h1-4,10-11,14H,5-7H2.
What are the key properties of 3-[4-(difluoromethyl)phenoxy]pyrrolidine?
3-[4-(difluoromethyl)phenoxy]pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)phenoxy]pyrrolidine is sourced from PubChem (CID 115028194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).