3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine

C11H13F2NO — CID 112564332

IUPAC3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2(F)CCNC2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-10-3-2-8(6-9(10)12)11(13)4-5-14-7-11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyZGVYZRDFPJTPJY-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine

3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine (PubChem CID 112564332) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
PubChem CID112564332
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
SMILESCOc1ccc(C2(F)CCNC2)cc1F
InChIInChI=1S/C11H13F2NO/c1-15-10-3-2-8(6-9(10)12)11(13)4-5-14-7-11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyZGVYZRDFPJTPJY-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-diethoxyphenyl)-3-fluoropyrrolidine
CID 112564446
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine
CID 122493832
1-(3-fluoro-4-methoxyphenyl)cyclobutan-1-amine;hydrochloride
CID 162691811
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
1-(3-fluoro-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 142504266
(3S)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547145
(3R)-3-(4-ethylphenyl)-3-fluoropyrrolidine
CID 124547144
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluoropyrrolidine
CID 83822992
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
1-(3-fluoro-4-methoxyphenyl)-N-methylcyclobutan-1-amine
CID 83688403
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine (CID 112564332) is 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine is COc1ccc(C2(F)CCNC2)cc1F.
What is the InChIKey of 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine?
The InChIKey is ZGVYZRDFPJTPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-10-3-2-8(6-9(10)12)11(13)4-5-14-7-11/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine?
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 112564332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).